SCHEMBL8317401

SCHEMBL8317401

O=C(Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.50
AVPR2 P30518 1/20 0.50
AVPR1B P47901 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL8315532 0.90 AVPR1A (0.55) AVPR1AAVPR2AVPR1B
SCHEMBL8317384 0.90 AVPR1A (0.49) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8314230 0.89 AVPR1A (0.48) AVPR1AAVPR2
SCHEMBL8317310 0.86 AVPR1A (0.52) AVPR1AAVPR2KMT2A
SCHEMBL8316599 0.85 AVPR2 (0.53) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8317666 0.85 AVPR1A (0.46) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8313496 0.84 KCNJ5 (0.45) AVPR1AAVPR1BNAMPT
SCHEMBL8316512 0.84 MEN1 (0.48) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL7333364 0.83 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL8316356 0.83 AVPR1A (0.49) 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