SCHEMBL9028504

SCHEMBL9028504

COc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.54
AVPR1A P37288 4/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
OXTR P30559 1/20 0.50
AVPR1B P47901 1/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MCL1 Q07820 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 2/20 0.46
QSOX1 O00391 1/20 0.46

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
SCHEMBL8671336 1.00 AVPR2 (0.54) AVPR2AVPR1AMEN1KMT2AOXTR
SCHEMBL9028775 0.87 AVPR2 (0.54) AVPR2AVPR1AMEN1KMT2AOXTR
SCHEMBL8677703 0.87 AVPR2 (0.54) AVPR2AVPR1AMEN1KMT2AOXTR
SCHEMBL9028620 0.87 AVPR1A (0.55) AVPR2AVPR1AKMT2AOXTRAVPR1B
SCHEMBL8675689 0.87 AVPR1A (0.55) AVPR2AVPR1AKMT2AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9028952 0.85 AVPR2 (0.72) AVPR2AVPR1AMEN1KMT2AOXTR
Hydrochloric Acid SCHEMBL9028942 0.85 AVPR2 (0.72) AVPR2AVPR1AMEN1KMT2AOXTR
SCHEMBL8676668 0.85 AVPR1A (0.61) AVPR2AVPR1AOXTRAVPR1BNPC1
SCHEMBL9028217 0.85 AVPR1A (0.61) AVPR2AVPR1AOXTRAVPR1BNPC1
SCHEMBL8672321 0.84 AVPR1A (0.58) AVPR2AVPR1AOXTRAVPR1BNPC1

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
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed