SCHEMBL8312759

SCHEMBL8312759

O=C(Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.55
AVPR2 P30518 3/20 0.55
AVPR1B P47901 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL8318107 0.93 AVPR2 (0.65) AVPR1AAVPR2
SCHEMBL7418434 0.90 AVPR2 (0.64) AVPR1AAVPR2
SCHEMBL8314568 0.90 AVPR1A (0.58) AVPR1AAVPR2AVPR1B
SCHEMBL8314766 0.90 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8318709 0.85 AVPR2 (0.54) AVPR1AAVPR2MEN1KMT2A
SCHEMBL8314325 0.84 AVPR1A (0.52) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL7333870 0.84 AVPR2 (0.64) AVPR1AAVPR2MEN1KMT2A
SCHEMBL7414353 0.83 AVPR2 (0.75) AVPR1AAVPR2
SCHEMBL8317666 0.83 AVPR1A (0.46) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8315722 0.82 AVPR1A (0.64) 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