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SCHEMBL1551499

SCHEMBL1551499

Cc1nn(C)cc1-n1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CC2)c2c([C@@H](c3cccc(F)c3C(N)=O)C3CC3)ccc(F)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ TACR3 P29371 10/20 0.37
▸ MAPK1 P28482 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ PIK3R2 O00459 1/20 0.30
▸ WDR5 P61964 2/20 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
SCHEMBL1550531 0.84 CYP2C9 (0.40) CYP2C9TACR3PDE2APIK3R2
SCHEMBL1550335 0.84 CYP2C9 (0.48) CYP2C9TACR3MAPK1PDE2ARIPK1
SCHEMBL2148919 0.83 CYP2C9 (0.39) CYP2C9TACR3PDE2AWDR5
SCHEMBL2310390 0.82 CYP2C9 (0.39) CYP2C9TACR3PDE2A
SCHEMBL3235809 0.81 CYP2C9 (0.39) CYP2C9TACR3
SCHEMBL3380867 0.80 CYP2C9 (0.36) CYP2C9TACR3WDR5
SCHEMBL2149069 0.80 CYP2C9 (0.36) CYP2C9TACR3
SCHEMBL2312871 0.80 CYP2C9 (0.39) CYP2C9TACR3WDR5
SCHEMBL3379662 0.80 CYP2C9 (0.36) CYP2C9TACR3PDE2A
SCHEMBL2149246 0.78 CYP2C9 (0.35) CYP2C9TACR3PDE2A

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
EP-2313391-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-04-27 — — EP claimed
WO-2009156339-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-12-30 — — WO claimed