SCHEMBL8318709

SCHEMBL8318709

Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4cccn4-c4ccccc43)cc2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.54
AVPR1A P37288 3/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8312611 0.92 AVPR1A (0.53) AVPR2AVPR1A
SCHEMBL7410683 0.91 AVPR2 (0.62) AVPR2AVPR1AMEN1KMT2A
SCHEMBL8318107 0.91 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8314568 0.89 AVPR1A (0.58) AVPR2AVPR1A
SCHEMBL8314766 0.88 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL8312759 0.85 AVPR1A (0.55) AVPR2AVPR1AMEN1KMT2A
SCHEMBL8315722 0.85 AVPR1A (0.64) AVPR2AVPR1A
SCHEMBL8319346 0.83 AVPR1A (0.52) AVPR2AVPR1A
SCHEMBL8316512 0.83 MEN1 (0.48) AVPR2AVPR1AMEN1KMT2ANPC1
SCHEMBL8314325 0.83 AVPR1A (0.52) AVPR2AVPR1AMEN1KMT2A

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