SCHEMBL8312803

SCHEMBL8312803

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
OXTR P30559 1/20 0.44
AVPR1A P37288 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7414169 0.90 AVPR2 (0.45) AVPR2KMT2AMEN1AVPR1A
SCHEMBL8318866 0.89 KCNJ5 (0.47) AVPR2
SCHEMBL7332706 0.87 AVPR2 (0.47) AVPR2KMT2AMEN1AVPR1A
SCHEMBL8315540 0.86 HSD11B1 (0.48) KMT2AMEN1
SCHEMBL8315401 0.83 AVPR1A (0.51) AVPR2OXTRAVPR1A
SCHEMBL8315722 0.83 AVPR1A (0.64) AVPR2OXTRAVPR1A
SCHEMBL8315058 0.82 KMT2A (0.43) AVPR2KMT2AMEN1OXTRAVPR1A
SCHEMBL8313980 0.82 AVPR1A (0.52) AVPR2OXTRAVPR1A
SCHEMBL8314000 0.81 AVPR1A (0.56) AVPR2OXTRAVPR1A
SCHEMBL8557382 0.80 AVPR2 (0.50) AVPR2KMT2AMEN1OXTRAVPR1A

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