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SCHEMBL3235809

SCHEMBL3235809

Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CC2)c2c([C@@H](c3cccc(F)c3C(N)=O)C3CC3)ccc(F)c2c(=O)n1C[C@H]1CCCN1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ TACR3 P29371 10/20 0.38
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAP2K1 Q02750 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
SCHEMBL2310390 0.89 CYP2C9 (0.39) CYP2C9TACR3
SCHEMBL2148919 0.87 CYP2C9 (0.39) CYP2C9TACR3
SCHEMBL3380867 0.85 CYP2C9 (0.36) CYP2C9TACR3
SCHEMBL2149459 0.84 CYP2C9 (0.47) CYP2C9TACR3ADRA1AHRH1ADRA1B
SCHEMBL7952865 0.84 CYP2C9 (0.47) CYP2C9TACR3ADRA1AHRH1ADRA1B
SCHEMBL2312871 0.84 CYP2C9 (0.39) CYP2C9TACR3
SCHEMBL2148996 0.82 CYP2C9 (0.45) CYP2C9TACR3ADRA1AHRH1ADRA1B
SCHEMBL2149801 0.82 CYP2C9 (0.45) CYP2C9TACR3ADRA1AHRH1ADRA1B
SCHEMBL2306426 0.82 CYP2C9 (0.35) CYP2C9TACR3
SCHEMBL1551499 0.81 CYP2C9 (0.38) CYP2C9TACR3

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
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 — — WO claimed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 — — WO disclosed