SCHEMBL9059943

SCHEMBL9059943

O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)c(Cl)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.75
AVPR1A P37288 8/20 0.55

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
SCHEMBL7342518 0.91 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL5236665 0.83 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL7336311 0.83 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL9059603 0.82 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL9065667 0.81 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL7314514 0.79 AVPR2 (0.46) AVPR2
SCHEMBL5238090 0.79 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7333632 0.79 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL5237135 0.78 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL5235967 0.77 AVPR2 (0.56) AVPR2AVPR1A

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
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed