SCHEMBL8563237

SCHEMBL8563237

Cc1sccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.59
AVPR2 P30518 5/20 0.59
AVPR1B P47901 1/20 0.47
OXTR P30559 1/20 0.47

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
SCHEMBL8559251 0.87 AVPR2 (0.68) AVPR1AAVPR2OXTR
SCHEMBL8562542 0.86 AVPR1A (0.57) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8558605 0.86 AVPR2 (0.57) AVPR1AAVPR2OXTR
SCHEMBL9234962 0.85 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL8563255 0.84 AVPR2 (0.59) AVPR1AAVPR2OXTR
SCHEMBL8561936 0.84 ACHE (0.55) AVPR1AAVPR2
SCHEMBL8560419 0.84 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL8556570 0.84 AVPR2 (0.56) AVPR1AAVPR2
SCHEMBL8563988 0.83 AVPR1A (0.58) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8557423 0.83 ACHE (0.51) AVPR1AAVPR2

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