SCHEMBL3833858

SCHEMBL3833858

CCc1ccc2c(c1)CCN(c1ccc(NC(C(=O)O)c3ccc(Cl)s3)cc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 12/20 0.40
▸ CYP11B2 P19099 12/20 0.40
▸ AOC3 Q16853 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ BCAT2 O15382 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL1640985 0.88 KCNH2 (0.36) CYP11B1CYP11B2AOC3POLBBCAT2
SCHEMBL3840536 0.84 F10 (0.33) F10
SCHEMBL3835833 0.82 F10 (0.32) F10
SCHEMBL3836616 0.74 MEN1 (0.34) POLBF10
SCHEMBL3842105 0.74 F10 (0.32) POLBF10
SCHEMBL1640766 0.72 ROCK2 (0.34) F10
SCHEMBL3838915 0.72 MEN1 (0.32) F10
SCHEMBL3835792 0.71 F10 (0.36) F10HTR1AADRA1A
SCHEMBL1639556 0.71 KDM4E (0.33) F10
SCHEMBL3836155 0.69 F10 (0.38) F10

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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