SCHEMBL7663102

SCHEMBL7663102

N=C(N)c1ccc(C#Cc2ccccc2-c2ccccc2C(=O)OC(=O)CCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRSS1 P07477 2/20 0.38
TMPRSS15 P98073 2/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ASIC3 Q9UHC3 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CHRM2 P08172 1/20 0.37
S1PR1 P21453 1/20 0.37
FPR1 P21462 1/20 0.37
FPR3 P25089 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
PLAU P00749 1/20 0.36
PLAT P00750 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
SCHEMBL7656966 0.81 NPC1 (0.50) FFAR1NPC1RAB9APRSS1ITGB3
Succinic Acid SCHEMBL22217135 0.69 NR4A2 (0.45) FFAR1NPC1RAB9APRSS1
SCHEMBL125859 0.69 NR4A2 (0.45) FFAR1NPC1RAB9APRSS1
SCHEMBL7688393 0.69 F7 (0.58) PRSS1
SCHEMBL7655674 0.67 F7 (0.69) PRSS1
SCHEMBL18574217 0.66 ASIC3 (0.71) PRSS1ASIC3PLAU
SCHEMBL7149446 0.66 NPC1 (0.59) FFAR1NPC1RAB9A
SCHEMBL27583154 0.66 ALDH1A1 (0.50)
SCHEMBL3677991 0.65 KDM4E (0.51) ITGB3ITGA2B
SCHEMBL3311087 0.64 NR4A2 (0.55) FFAR1RAB9APRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed