SCHEMBL6996980

SCHEMBL6996980

CN(C)C1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(C(N)=O)cc2Cl)C3)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.68
AVPR1A P37288 3/20 0.42
L3MBTL3 Q96JM7 1/20 0.39
OXTR P30559 1/20 0.38

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
SCHEMBL6996985 0.90 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL7000720 0.81 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7001232 0.80 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5786827 0.80 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7000948 0.79 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL7002895 0.79 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL7001234 0.76 AVPR2 (0.55) AVPR2L3MBTL3
SCHEMBL5786186 0.74 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL5783664 0.74 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL5626598 0.74 AVPR2 (0.48) AVPR2AVPR1AL3MBTL3

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