SCHEMBL8316599

SCHEMBL8316599

O=C(Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.53
AVPR1A P37288 5/20 0.53
HSD11B1 P28845 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AVPR1B P47901 1/20 0.46
ATM Q13315 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
SCHEMBL8317666 0.93 AVPR1A (0.46) AVPR2AVPR1AMEN1KMT2AAVPR1B
SCHEMBL8316356 0.92 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8316512 0.91 MEN1 (0.48) AVPR2AVPR1AMEN1KMT2AAVPR1B
SCHEMBL8315532 0.91 AVPR1A (0.55) AVPR2AVPR1AHSD11B1AVPR1B
SCHEMBL8318313 0.89 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL8317384 0.86 AVPR1A (0.49) AVPR2AVPR1AMEN1KMT2AAVPR1B
SCHEMBL8317401 0.85 AVPR1A (0.50) AVPR2AVPR1AMEN1KMT2AAVPR1B
SCHEMBL8311577 0.85 AVPR1A (0.51) AVPR2AVPR1A
SCHEMBL7333364 0.83 AVPR1A (0.61) AVPR2AVPR1A
SCHEMBL8316588 0.83 AVPR2 (0.53) AVPR2AVPR1AHSD11B1

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