SCHEMBL8317666

SCHEMBL8317666

O=C(Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.46
AVPR1B P47901 1/20 0.46
AVPR2 P30518 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8316599 0.93 AVPR2 (0.53) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8315532 0.91 AVPR1A (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL8316356 0.90 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL8318313 0.87 AVPR2 (0.45) AVPR1AAVPR2
SCHEMBL8317384 0.86 AVPR1A (0.49) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8316512 0.86 MEN1 (0.48) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8317401 0.85 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7333364 0.83 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL8315606 0.83 AVPR1A (0.47) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8311577 0.83 AVPR1A (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 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