SCHEMBL8557927

SCHEMBL8557927

Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.51
AVPR1A P37288 4/20 0.51
GPR27 Q9NS67 1/20 0.46
OXTR P30559 1/20 0.46
CYP11B2 P19099 1/20 0.45

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
SCHEMBL8563496 0.91 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8558117 0.90 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL8559901 0.89 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL8563279 0.89 AVPR2 (0.48) AVPR2AVPR1AGPR27
SCHEMBL8561944 0.89 AVPR2 (0.48) AVPR2AVPR1AGPR27
SCHEMBL8561948 0.89 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557947 0.85 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL8561396 0.85 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8560617 0.85 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8562938 0.85 AVPR2 (0.45) 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 1 patent. 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