SCHEMBL8558766

SCHEMBL8558766

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
AVPR2 P30518 2/20 0.46
AVPR1A P37288 2/20 0.46
POLB P06746 1/20 0.44
ROCK2 O75116 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
SCHEMBL8563252 0.88 TP53 (0.47) ROCK2
SCHEMBL7331304 0.85 KMT2A (0.48) KMT2AMEN1AVPR2AVPR1APOLB
SCHEMBL8556932 0.83 AVPR2 (0.48) KMT2AMEN1AVPR2AVPR1APOLB
SCHEMBL8314597 0.79 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL7330829 0.79 AVPR1A (0.63) AVPR2AVPR1A
SCHEMBL8317444 0.77 AVPR1A (0.48) KMT2AAVPR2AVPR1A
SCHEMBL8561770 0.77 AVPR2 (0.47) KMT2AMEN1AVPR2AVPR1A
SCHEMBL7414169 0.77 AVPR2 (0.45) KMT2AMEN1AVPR2AVPR1A
SCHEMBL8557382 0.77 AVPR2 (0.50) KMT2AMEN1AVPR2AVPR1APOLB
SCHEMBL8556495 0.77 AVPR2 (0.55) AVPR2AVPR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed