SCHEMBL6991783

SCHEMBL6991783

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.67
AVPR1B P47901 5/20 0.67
AVPR2 P30518 4/20 0.62
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OXTR P30559 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6990757 0.86 AVPR1A (0.64) AVPR1AAVPR1BAVPR2GAAMAPT
SCHEMBL6989132 0.80 AVPR1A (0.85) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989046 0.80 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6988098 0.80 AVPR1A (0.74) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7365160 0.80 AVPR1A (0.68) AVPR1AAVPR1BAVPR2MAPTMEN1
SCHEMBL8316362 0.79 AVPR2 (0.48) AVPR1AAVPR2
SCHEMBL8799494 0.79 AVPR1A (0.65) AVPR1AAVPR1BAVPR2MAPTMEN1
SCHEMBL6988520 0.78 AVPR1A (0.66) AVPR1AAVPR1BAVPR2MAPTMEN1
SCHEMBL6988528 0.78 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8796814 0.78 AVPR1A (0.77) AVPR1AAVPR1BAVPR2GAAOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed