SCHEMBL8314568

SCHEMBL8314568

O=C(Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1)c1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.58
AVPR1B P47901 1/20 0.58
AVPR2 P30518 3/20 0.52
HSD11B1 P28845 1/20 0.49

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
SCHEMBL8312759 0.90 AVPR1A (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL8318107 0.90 AVPR2 (0.65) AVPR1AAVPR2
SCHEMBL8314325 0.90 AVPR1A (0.52) AVPR1AAVPR1BAVPR2
SCHEMBL7417248 0.90 AVPR2 (0.60) AVPR1AAVPR2
SCHEMBL8318709 0.89 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8315722 0.88 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL8314766 0.85 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8314000 0.85 AVPR1A (0.56) AVPR1AAVPR2
SCHEMBL8317555 0.85 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8318558 0.83 AVPR1A (0.48) AVPR1AAVPR1BAVPR2

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