SCHEMBL8318558

SCHEMBL8318558

Cc1occc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.48
AVPR2 P30518 2/20 0.48
OXTR P30559 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
AVPR1B P47901 2/20 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
SCHEMBL7416561 0.90 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL8318821 0.88 GRM1 (0.47) AVPR1AAVPR2OXTR
SCHEMBL8315722 0.87 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL8314000 0.85 AVPR1A (0.56) AVPR1AAVPR2OXTR
SCHEMBL8312611 0.85 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8319346 0.84 AVPR1A (0.52) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8314568 0.83 AVPR1A (0.58) AVPR1AAVPR2AVPR1B
SCHEMBL8315401 0.83 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL8314766 0.83 AVPR2 (0.54) AVPR1AAVPR2OXTR
SCHEMBL8317555 0.83 AVPR2 (0.54) AVPR1AAVPR2OXTRALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed