SCHEMBL7002910

SCHEMBL7002910

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1Br

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.80
AVPR1A P37288 12/20 0.80
OXTR P30559 1/20 0.72

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
SCHEMBL8314637 0.92 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8317046 0.89 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL7339573 0.89 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL5738817 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8313381 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8317230 0.87 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL8314641 0.87 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL8317084 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL5739957 0.86 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7341103 0.86 AVPR2 (0.90) AVPR2AVPR1AOXTR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1330653-C 3-methylamide derivatives of 5H-pyrrolo [2,1,-C] [1,4]-benzodiazepines AMERICAN HOME PROD (US) 2007-08-08 CN disclosed
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP disclosed
EP-1021444-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-26 EP disclosed
CN-1234801-A 3-carboxamide derivatives of 5H-pyrrolo [2, 1-C ] [1,4] -benzodiazepine * AMERICAN HOME PROD (US) 1999-11-10 CN disclosed
WO-1998020011-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-14 WO disclosed