SCHEMBL8318145

SCHEMBL8318145

COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.58
AVPR2 P30518 12/20 0.58
OXTR P30559 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
SCHEMBL8317591 0.90 AVPR2 (0.56) AVPR1AAVPR2OXTR
SCHEMBL7333735 0.87 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL8314897 0.83 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL7331322 0.82 AVPR1A (0.69) AVPR1AAVPR2
SCHEMBL8316248 0.82 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL5784203 0.77 AVPR2 (0.69) AVPR1AAVPR2OXTR
SCHEMBL5787603 0.77 AVPR2 (0.62) AVPR1AAVPR2OXTR
SCHEMBL7332455 0.77 AVPR2 (0.64) AVPR1AAVPR2OXTR
SCHEMBL4145382 0.76 AVPR2 (0.63) AVPR1AAVPR2OXTR
SCHEMBL5113525 0.76 AVPR2 (0.59) AVPR1AAVPR2OXTR

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