SCHEMBL9375461

SCHEMBL9375461

Cc1ccc2c(c1)OCC(=O)N(CCCCBr)C2=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.43
PLK1 P53350 1/20 0.42
MAPT P10636 1/20 0.41
TERT O14746 1/20 0.41
CHRM2 P08172 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL9374266 0.99 TSHR (0.43) TSHRHTTPOLBTP53PLK1
SCHEMBL9375283 0.96 TSHR (0.45) TSHRHTTPOLBTP53PLK1
SCHEMBL9372268 0.85 KMO (0.45) TSHRHTTPOLBMAPTTERT
SCHEMBL9369680 0.84 L3MBTL1 (0.43) TP53MAPTMEN1KMT2A
SCHEMBL1764373 0.82 TSHR (0.62) TSHRHTTPOLBTP53PLK1
SCHEMBL9024015 0.81 HTR1A (0.42) TSHRMAPTKMT2A
SCHEMBL9025337 0.80 TDP1 (0.42)
SCHEMBL7467871 0.80 CHRM2 (0.40) HTTPOLBMAPTCHRM2MEN1
SCHEMBL9371971 0.79 HTR1A (0.58)
SCHEMBL9371995 0.78 HTR1A (0.57)

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-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP disclosed