SCHEMBL8316563

SCHEMBL8316563

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.50
AVPR1B P47901 2/20 0.50
PKM P14618 1/20 0.49
AVPR2 P30518 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OXTR P30559 1/20 0.46

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
SCHEMBL7410318 0.90 PKM (0.51) AVPR1APKMAVPR2
SCHEMBL8319346 0.87 AVPR1A (0.52) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8315722 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL8315401 0.84 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL8313872 0.83 AVPR1A (0.48) AVPR1AAVPR1BPKMAVPR2MEN1
SCHEMBL8314000 0.82 AVPR1A (0.56) AVPR1AAVPR2OXTR
SCHEMBL8312611 0.82 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8318821 0.81 GRM1 (0.47) AVPR1AAVPR2OXTR
SCHEMBL8564490 0.81 AVPR1A (0.53) AVPR1AAVPR1BPKMAVPR2MEN1
SCHEMBL7332706 0.81 AVPR2 (0.47) AVPR1AAVPR1BAVPR2MEN1KMT2A

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