SCHEMBL8318009

SCHEMBL8318009

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3sccc32)cc1)c1ccccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.65
AVPR1B P47901 1/20 0.65
AVPR2 P30518 2/20 0.62

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
SCHEMBL8313230 0.90 AVPR1A (0.64) AVPR1AAVPR1BAVPR2
SCHEMBL7331566 0.90 AVPR1A (0.75) AVPR1AAVPR1BAVPR2
SCHEMBL8319414 0.90 AVPR1A (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL7333980 0.89 AVPR1A (0.65) AVPR1AAVPR1BAVPR2
SCHEMBL8312688 0.88 AVPR1A (0.62) AVPR1AAVPR1BAVPR2
SCHEMBL8313976 0.86 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL8317374 0.86 AVPR1A (0.61) AVPR1AAVPR1BAVPR2
SCHEMBL8314290 0.86 AVPR1A (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL8316941 0.85 AVPR1A (0.63) AVPR1AAVPR1BAVPR2
SCHEMBL7334123 0.85 AVPR2 (0.82) 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 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