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SCHEMBL8560800

SCHEMBL8560800

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 3/20 0.79
▸ AVPR1A P37288 3/20 0.79
▸ OXTR P30559 1/20 0.69

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
SCHEMBL8556275 0.93 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8561006 0.91 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL9236961 0.90 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8558733 0.89 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL8562010 0.89 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL8819967 0.88 AVPR1A (1.00) AVPR2AVPR1AOXTR
SCHEMBL8558993 0.87 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8561223 0.87 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8564269 0.86 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8564021 0.86 AVPR2 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 — — EP disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 — — WO disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 — — EP disclosed