SCHEMBL9728311

SCHEMBL9728311

Cc1ccc(C(CCc2c[nH]cn2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.55
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR1B P28222 2/20 0.39
MTOR P42345 1/20 0.39
HRH1 P35367 1/20 0.38
CASR P41180 1/20 0.36

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
SCHEMBL9641471 0.95 CYP19A1 (0.51) CYP19A1CNR1CNR2HTR1BMTOR
SCHEMBL9120034 0.92 CYP19A1 (0.50) CYP19A1CNR1CNR2HRH1
SCHEMBL9641597 0.91 HRH1 (0.44) CYP19A1HTR1BMTORHRH1
SCHEMBL9120327 0.87 CYP19A1 (0.54) CYP19A1CNR1CNR2
SCHEMBL9728037 0.85 CYP19A1 (0.55) CYP19A1HTR1BHRH1
SCHEMBL9642024 0.84 CYP19A1 (0.56) CYP19A1HTR1BMTORHRH1
SCHEMBL9091602 0.82 CYP19A1 (0.57) CYP19A1HTR1BHRH1
SCHEMBL9119383 0.81 CYP19A1 (0.43) CYP19A1HTR1BHRH1
SCHEMBL9122730 0.81 CYP19A1 (0.48) CYP19A1HTR1BMTORHRH1
SCHEMBL9641135 0.81 CYP19A1 (0.56) CYP19A1CNR1CNR2

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
US-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 US disclosed