SCHEMBL8313872

SCHEMBL8313872

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.48
AVPR1B P47901 2/20 0.48
PKM P14618 1/20 0.47
AVPR2 P30518 6/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OXTR P30559 1/20 0.44

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
SCHEMBL8317072 0.88 AVPR1A (0.50) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7333364 0.85 AVPR1A (0.61) AVPR1AAVPR2OXTR
SCHEMBL8314230 0.85 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL8318225 0.83 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8311577 0.83 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL8316563 0.83 AVPR1A (0.50) AVPR1AAVPR1BPKMAVPR2MEN1
SCHEMBL8318590 0.82 GRM1 (0.45) AVPR1AAVPR2OXTR
SCHEMBL8316010 0.82 AVPR1A (0.40) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8316356 0.81 AVPR1A (0.49) AVPR1AAVPR2OXTR
SCHEMBL8315606 0.81 AVPR1A (0.47) AVPR1AAVPR1BPKMAVPR2MEN1

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