SCHEMBL6989778

SCHEMBL6989778

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCc4sc(NC(=N)N)nc4-c4ccccc43)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.58
AVPR1A P37288 13/20 0.58
AVPR1B P47901 4/20 0.48
OXTR P30559 1/20 0.48

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
SCHEMBL6985701 0.94 AVPR1A (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6994936 0.88 AVPR2 (0.62) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6989771 0.86 AVPR2 (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6991859 0.85 AVPR1A (0.72) AVPR2AVPR1AAVPR1BOXTR
Propane SCHEMBL6986570 0.82 AVPR1A (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6995394 0.81 AVPR1A (0.65) AVPR2AVPR1AAVPR1BOXTR
Isopropyl Alcohol SCHEMBL6986572 0.81 AVPR1A (0.57) AVPR2AVPR1AAVPR1BOXTR
Bromide SCHEMBL6995133 0.81 AVPR1A (0.64) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6985698 0.80 AVPR1A (0.61) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL6993801 0.80 AVPR1A (0.59) AVPR2AVPR1AAVPR1BOXTR

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-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed