SCHEMBL9375283

SCHEMBL9375283

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.43
PLK1 P53350 1/20 0.43
TERT O14746 1/20 0.41
CHRM2 P08172 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 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
SCHEMBL9375461 0.96 TSHR (0.44) TSHRHTTPOLBTP53PLK1
SCHEMBL9374266 0.95 TSHR (0.43) TSHRHTTPOLBTP53PLK1
SCHEMBL4059758 0.81 TSHR (0.64) TSHRHTTPOLBTP53PLK1
SCHEMBL9369776 0.81 TSHR (0.41) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL9372268 0.81 KMO (0.45) TSHRHTTPOLBTERTMEN1
SCHEMBL9369680 0.80 L3MBTL1 (0.43) TP53MEN1KMT2AMAPT
SCHEMBL1764373 0.77 TSHR (0.62) TSHRHTTPOLBTP53PLK1
SCHEMBL9371971 0.77 HTR1A (0.58)
SCHEMBL9024015 0.77 HTR1A (0.42) TSHRKMT2AMAPT
SCHEMBL9371995 0.77 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