SCHEMBL6993554

SCHEMBL6993554

Cc1occc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.67
AVPR1B P47901 4/20 0.55
AVPR2 P30518 3/20 0.52
OXTR P30559 2/20 0.52
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL6992490 0.88 AVPR1A (0.61) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6994023 0.86 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6986061 0.86 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991357 0.86 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTRALDH1A1
SCHEMBL6991936 0.85 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6993363 0.85 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRNPC1
SCHEMBL6987246 0.85 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991584 0.85 AVPR1A (0.72) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6990890 0.84 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTRALDH1A1
SCHEMBL6993534 0.84 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR

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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed