SCHEMBL7001232

SCHEMBL7001232

NC(=O)c1ccc(C(=O)N2Cc3ccc(C(=O)N4CCCCC4C4CCNCC4)n3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.45
HSD11B1 P28845 1/20 0.40
AVPR1A P37288 1/20 0.36

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
SCHEMBL7001610 0.82 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL7001093 0.80 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL6996980 0.80 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL7002895 0.75 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL7001234 0.71 AVPR2 (0.55) AVPR2
SCHEMBL6624320 0.70 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL6996985 0.70 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL5783073 0.69 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5626377 0.67 AVPR1A (0.46) AVPR2HSD11B1AVPR1A
SCHEMBL2960698 0.66 HSD17B3 (0.45) 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
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP claimed