SCHEMBL4660604

SCHEMBL4660604

C[CH]C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
HTR2A P28223 2/20 0.39
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
CYP2D6 P10635 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SRC P12931 1/20 0.36

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
SCHEMBL692130 0.78 MEN1 (0.39) DPP4F2TSHRTAAR1HTR2A
SCHEMBL8613849 0.78 MEN1 (0.39) DPP4F2TSHRTAAR1HTR2A
Methane SCHEMBL11662057 0.76 MEN1 (0.38) DPP4F2TSHRTAAR1HTR2A
SCHEMBL8522965 0.75 DPP4 (0.45) DPP4F2TSHRTAAR1HTR2A
SCHEMBL21331657 0.74 TRPA1 (0.50) DPP4F2TSHRTAAR1LMNA
SCHEMBL185170 0.74 TRPA1 (0.50) DPP4F2TSHRTAAR1LMNA
SCHEMBL7644284 0.72 DPP4 (0.33) DPP4F2TSHRTAAR1HTR2A
SCHEMBL20187377 0.72 IDO1 (0.41)
SCHEMBL11330098 0.72 TAAR1 (0.41) DPP4F2TSHRTAAR1LMNA
SCHEMBL2121638 0.72 LMNA (0.46) TSHRHTR2ALMNACYP2D6ADRA2A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109364534-B Modified polyether composition 南京瑞思化学技术有限公司 2020-12-25 CN claimed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 EP claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
US-5502032-A SYNTHETIC OLIGOPEPTIDES, ANTITUMOR, ANTICANCER BASF AKTIENGESELLSCHAFT (DE) 1996-03-26 US claimed
EP-0674652-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1995-10-04 EP claimed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 EP claimed
WO-1994013695-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 WO claimed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 WO claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
EP-0215297-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-25 EP claimed
CN-114307260-A Preparation method of polyether composition 南京瑞思化学技术有限公司 2022-04-12 CN disclosed
CN-113615696-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-11-09 CN disclosed
CN-107205405-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-08-24 CN disclosed
CN-113173838-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-07-27 CN disclosed
WO-1994013695-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 WO disclosed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 WO disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 EP disclosed