SCHEMBL6998617

SCHEMBL6998617

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.72
AVPR1A P37288 7/20 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
SCHEMBL8862859 0.91 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL8312708 0.90 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL7339277 0.88 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL8315230 0.88 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8317095 0.88 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL5740017 0.87 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8315673 0.87 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8314271 0.86 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8317630 0.86 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL5739086 0.86 AVPR2 (0.76) 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 3 patents. 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 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
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