SCHEMBL7002895

SCHEMBL7002895

CN1CCN(NC(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(C(N)=O)cc2Cl)C3)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.56
AVPR1A P37288 8/20 0.42
OXTR P30559 1/20 0.41

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
SCHEMBL6997140 0.81 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL6996980 0.79 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7001232 0.75 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL6624320 0.73 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL5782835 0.71 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL2951582 0.70 HSD17B3 (0.42) AVPR2AVPR1AOXTR
SCHEMBL2960123 0.70 HSD17B3 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7336426 0.69 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL2954333 0.69 HSD17B3 (0.41) AVPR2AVPR1AOXTR
SCHEMBL5783636 0.69 AVPR2 (0.64) 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