SCHEMBL9028609

SCHEMBL9028609

COc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.51
AVPR2 P30518 4/20 0.51
OXTR P30559 1/20 0.48
AVPR1B P47901 1/20 0.48
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9028601 0.89 AVPR2 (0.51) AVPR1AAVPR2OXTRAVPR1BKMT2A
SCHEMBL9028620 0.86 AVPR1A (0.55) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL8676668 0.86 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BGFER
SCHEMBL8675689 0.86 AVPR1A (0.55) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL9028217 0.86 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BGFER
SCHEMBL9028294 0.83 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL8672321 0.83 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL8673863 0.81 AVPR2 (0.58) AVPR1AAVPR2OXTRAVPR1BMEN1
SCHEMBL9028739 0.81 AVPR2 (0.58) AVPR1AAVPR2OXTRAVPR1BMEN1
SCHEMBL8671336 0.80 AVPR2 (0.54) AVPR1AAVPR2OXTRAVPR1BKDM4E

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