SCHEMBL6997057

SCHEMBL6997057

O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)N4CCC(N5CCOCC5)CC4)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.78
AVPR1A P37288 11/20 0.66

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
SCHEMBL7000435 0.91 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL7000720 0.88 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6997469 0.85 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6997140 0.80 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL7001610 0.80 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL14280053 0.80 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL30082695 0.80 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6870467 0.80 AVPR2 (1.00) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL23777534 0.79 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7000948 0.78 AVPR2 (0.81) 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 2 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-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP disclosed