SCHEMBL3840108

SCHEMBL3840108

CNc1cc2cnn(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.40
▸ PTGES O14684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GRM1 Q13255 1/20 0.33
▸ PLA2G10 O15496 1/20 0.32
▸ MAPK8 P45983 3/20 0.32
▸ MAPK10 P53779 3/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ F10 P00742 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDR P35968 3/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL1639116 0.89 PTGES (0.36) P2RY12PTGESCYP1A2CYP2C9HTT
SCHEMBL3837178 0.85 P2RY12 (0.40) P2RY12GRM1F10
SCHEMBL1638830 0.74 P2RY12 (0.35) P2RY12GRM1F10LMNA
SCHEMBL1640707 0.73 F10 (0.36) P2RY12GRM1F10
SCHEMBL3836155 0.73 F10 (0.38) P2RY12F10
SCHEMBL3840521 0.73 F10 (0.38) P2RY12F10
SCHEMBL3838454 0.72 P2RY12 (0.54) P2RY12HTTSMN1; SMN2LMNA
SCHEMBL27777390 0.70 P2RY12 (0.54) P2RY12HTTSMN1; SMN2F10LMNA
SCHEMBL1640722 0.69 P2RY12 (0.35) P2RY12CYP2C9RAB9AMAPK14F10
SCHEMBL1640201 0.69 P2RY12 (0.68) P2RY12HTTSMN1; SMN2F10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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