SCHEMBL8317384

SCHEMBL8317384

O=C(Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.49
AVPR1B P47901 1/20 0.49
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
AVPR2 P30518 3/20 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
SCHEMBL8315532 0.94 AVPR1A (0.55) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8317401 0.90 AVPR1A (0.50) AVPR1AAVPR1BMEN1KMT2AAVPR2
SCHEMBL8316599 0.86 AVPR2 (0.53) AVPR1AAVPR1BMEN1KMT2AAVPR2
SCHEMBL8317666 0.86 AVPR1A (0.46) AVPR1AAVPR1BMEN1KMT2AAVPR2
SCHEMBL7333364 0.86 AVPR1A (0.61) AVPR1AAVPR2OXTR
SCHEMBL8314084 0.85 AVPR1A (0.46) AVPR1AAVPR2OXTR
SCHEMBL8318225 0.85 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8316512 0.85 MEN1 (0.48) AVPR1AAVPR1BMEN1NPC1RAB9A
SCHEMBL8316356 0.84 AVPR1A (0.49) AVPR1AAVPR2OXTR
SCHEMBL8318538 0.84 LMNA (0.46) AVPR1AMEN1KMT2AAVPR2OXTR

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