SCHEMBL19659403

SCHEMBL19659403

Cc1cc(F)c2c(c1)OC[C@H](C)C(=O)N2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL25551291 0.87 TGM2 (0.36) CYP19A1
SCHEMBL15964573 0.84 BLM (0.32) CYP19A1TSHR
SCHEMBL22887844 0.82 RIPK1 (0.31) —
SCHEMBL15964739 0.73 MMP12 (0.33) TSHRHTR7HTR2BTMEM97SIGMAR1
SCHEMBL17321201 0.72 GAA (0.49) —
SCHEMBL23188854 0.69 ALDH1A1 (0.38) CYP19A1TSHRHTR7HTR2BTMEM97
SCHEMBL15964641 0.69 TGM2 (0.36) CYP19A1TSHR
SCHEMBL28719592 0.69 TGM2 (0.36) CYP19A1TSHR
SCHEMBL30587582 0.69 TGM2 (0.36) CYP19A1TSHR
SCHEMBL19659466 0.69 RIPK1 (0.34) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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