SCHEMBL8556932

SCHEMBL8556932

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.48
AVPR1A P37288 4/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
OXTR P30559 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
SCHEMBL8557995 0.88 KCNJ5 (0.47) AVPR2AVPR1A
SCHEMBL9234962 0.87 AVPR1A (0.49) AVPR2AVPR1AKMT2AMEN1
SCHEMBL7331304 0.86 KMT2A (0.48) AVPR2AVPR1AKMT2AMEN1POLB
SCHEMBL8555635 0.85 HSD11B1 (0.47) KMT2AMEN1MAPT
SCHEMBL8556946 0.84 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8559251 0.84 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8558766 0.83 KMT2A (0.46) AVPR2AVPR1AKMT2AMEN1POLB
SCHEMBL8560730 0.82 POLB (0.53) AVPR2AVPR1AKMT2AMEN1POLB
SCHEMBL8557173 0.82 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8563255 0.81 AVPR2 (0.59) AVPR2AVPR1AOXTR

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