SCHEMBL9035334

SCHEMBL9035334

[CH2]CCCCN(C)CCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
DNM1 Q05193 3/20 0.42
KDM4C Q9H3R0 7/20 0.40
KDM5A P29375 5/20 0.40
CHRM2 P08172 1/20 0.40
KDM4A O75164 2/20 0.39
PHF8 Q9UPP1 1/20 0.39
GGPS1 O95749 2/20 0.38
FDPS P14324 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL9579289 0.95 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL9170834 0.92 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL2217865 0.92 S1PR2 (0.39) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5405623 0.87 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL7282782 0.87 SIGMAR1 (0.47) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5391134 0.87 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL2303995 0.86
SCHEMBL28107821 0.86 S1PR2 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL9371017 0.86 CHRM2 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL27456365 0.85 DNM1 (0.39) S1PR2S1PR1S1PR3S1PR5DNM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015058226-A1 CONTACT BIOCIDES BASED ON POLY(OXAZINE)S, POLY(OXAZEPINE)S, AND POLY(OXAZOZINE)S POLYMER COMPETENCE CENTER LEOBEN (AT) 2015-04-30 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed