SCHEMBL10367118

SCHEMBL10367118

COc1ccc2c(c1)OC(c1ccccc1)CC(N)C2O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.58
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.48
ABCB1 P08183 1/20 0.48
AR P10275 1/20 0.48
CFTR P13569 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL10365192 0.90 ABCG2 (0.51) CYP19A1MAOBMEN1KMT2ATDP1
SCHEMBL10367170 0.85 MAOB (0.48) CYP19A1MAOBMEN1KMT2ATDP1
SCHEMBL17708851 0.85 CYP19A1 (0.63) CYP19A1MAOBMEN1KMT2ATDP1
SCHEMBL10365195 0.84 KDM4E (0.46) CYP19A1MEN1KMT2ATDP1ABCG2
Hydrochloric Acid SCHEMBL17709161 0.84 CYP19A1 (0.62) CYP19A1MAOBMEN1KMT2ATDP1
SCHEMBL10365101 0.82 CYP19A1 (0.53) CYP19A1MAOBMEN1KMT2AAR
SCHEMBL10364752 0.81 CYP19A1 (0.39) CYP19A1MEN1KMT2ATDP1AR
SCHEMBL10366584 0.80 MAOB (0.41) CYP19A1MAOBARCFTRMAPT
SCHEMBL13894328 0.78 CYP19A1 (0.61) CYP19A1MAOBMEN1KMT2ATDP1
SCHEMBL6864759 0.77 CYP2C19 (0.49) CYP19A1MAOBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250265-B1 2-PHENYLBENZOXEPIN DERIVATIVE SUNTORY LIMITED (JP) 1990-09-05 EP disclosed
US-4845094-A HYPOGLYCEMIC, ANTICOAGULANT SUNTORY LIMITED (JP) 1989-07-04 US disclosed
EP-0250265-A1 2-Phenylbenzoxepin derivative SUNTORY LIMITED (JP) 1987-12-23 EP disclosed