SCHEMBL6987427

SCHEMBL6987427

O=C(Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)c(Cl)c1)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.59
AVPR2 P30518 7/20 0.53
AVPR1B P47901 3/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL6991662 0.92 AVPR1A (0.58) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6995599 0.91 AVPR1A (0.56) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6992837 0.89 AVPR2 (0.57) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6989777 0.87 AVPR2 (0.58) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6993364 0.86 AVPR1A (0.57) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6989072 0.84 AVPR1A (0.55) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6990759 0.80 AVPR1A (0.68) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL6989322 0.80 AVPR1A (0.60) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8797156 0.77 AVPR1A (0.73) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8796970 0.76 AVPR1A (0.73) AVPR1AAVPR2AVPR1BLMNATP53

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