SCHEMBL7000720

SCHEMBL7000720

CN(C)C1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 1.00
AVPR1A P37288 7/20 0.61

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
SCHEMBL7000948 0.90 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL6997057 0.88 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL6997469 0.86 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6997140 0.83 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL7001610 0.82 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL6996985 0.82 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL6996980 0.81 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL6997498 0.80 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL7000212 0.80 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL7000435 0.79 AVPR2 (0.65) 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 4 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 claimed
EP-1021444-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-26 EP claimed
WO-1998020011-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-14 WO claimed
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP disclosed