SCHEMBL8318538

SCHEMBL8318538

O=C(Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
AVPR2 P30518 4/20 0.44
AVPR1A P37288 4/20 0.44
OXTR P30559 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8316236 0.87 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7333364 0.86 AVPR1A (0.61) AVPR2AVPR1AOXTR
SCHEMBL8315532 0.86 AVPR1A (0.55) AVPR2AVPR1AOXTR
SCHEMBL8314084 0.85 AVPR1A (0.46) AVPR2AVPR1AOXTR
SCHEMBL8317384 0.84 AVPR1A (0.49) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL8318225 0.84 AVPR1A (0.53) AVPR2AVPR1AOXTR
SCHEMBL8317702 0.84 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8317401 0.82 AVPR1A (0.50) AVPR2AVPR1AMEN1KMT2A
SCHEMBL8315606 0.82 AVPR1A (0.47) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL8311577 0.82 AVPR1A (0.51) AVPR2AVPR1AOXTR

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