SCHEMBL7003569

SCHEMBL7003569

COCCCc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CALM1 P0DP23 1/20 0.34
DAO P14920 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C8 P10632 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP4A11 Q02928 1/20 0.32
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7002413 0.94 L3MBTL1 (0.37) IDO1LMNAKDM4ECALM1ALDH1A1
SCHEMBL7001939 0.92 TDP1 (0.39) LMNAKDM4EALDH1A1L3MBTL1CYP4A11
SCHEMBL6996488 0.92 TDP1 (0.39) LMNAKDM4EALDH1A1L3MBTL1CYP4A11
SCHEMBL7297414 0.88 MEN1 (0.36) IDO1LMNAALDH1A1L3MBTL1TDP1
SCHEMBL198568 0.86 NR3C1 (0.36) LMNAKDM4ENPSR1TDP1
SCHEMBL5131567 0.81 KMT2A (0.43) LMNAKDM4EALDH1A1
SCHEMBL7303272 0.79 KCNH2 (0.33) KDM4EKCNH2
SCHEMBL3191931 0.79 RAB9A (0.41) IDO1KDM4EALDH1A1TDP1KCNH2
SCHEMBL11803736 0.78 MAOA (0.40) LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL7304240 0.78 ALDH1A1 (0.44) LMNAKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097084-B1 NEW KALLIKREIN 7 INHIBITORS SIXERA PHARMA AB (SE) 2020-09-30 EP disclosed
CN-102015682-B 3, 4-substituted piperidine derivatives as renin inhibitors MERCK FROSST CANADA LTD 2014-07-16 CN disclosed
CN-102015682-A 3, 4-substituted piperidine derivatives as renin inhibitors MERCK FROSST CANADA LTD 2011-04-13 CN disclosed
CN-1122033-C Triazolopurine derivatives, pharmaceutical compositions containing the same OTSUKE PHARMACEUTICAL FACTORY (JP) 2003-09-24 CN disclosed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
CN-1301266-A Triazolopurine derivatives, pharmaceutical composition containing the same, adenosine A3 receptor affinity agent, and asthma therapeutic agent OTSUKA PHARMACEUITCAL FACTORY (JP) 2001-06-27 CN disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
US-5595686-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-01-21 US disclosed
EP-0699683-A1 Novel silacyclohexane compounds a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-06 EP disclosed
EP-0342536-B1 THIENYL-PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1992-09-23 EP disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed
US-4898866-A NOOTROPIC AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
EP-0342536-A1 Thienyl-piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1989-11-23 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP disclosed