SCHEMBL8556989

SCHEMBL8556989

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.72
AVPR2 P30518 2/20 0.72
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
SCHEMBL8557460 0.94 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL8558930 0.91 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8556707 0.90 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL8559975 0.89 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL8561223 0.89 AVPR2 (0.68) AVPR1AAVPR2OXTR
SCHEMBL8559258 0.89 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL8562670 0.87 AVPR1A (0.60) AVPR1AAVPR2OXTR
SCHEMBL8560388 0.87 AVPR1A (0.60) AVPR1AAVPR2OXTR
SCHEMBL8558289 0.87 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8563752 0.87 ALDH1A1 (0.57) AVPR1AAVPR2OXTR

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed