SCHEMBL8562591

SCHEMBL8562591

Cc1sccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3cc(Cl)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.64
AVPR1A P37288 7/20 0.64
GRM1 Q13255 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8560066 0.88 AVPR2 (0.59) AVPR2AVPR1AGRM1
SCHEMBL8559508 0.87 AVPR2 (0.59) AVPR2AVPR1ACYP2C9
SCHEMBL8558900 0.86 AVPR2 (0.65) AVPR2AVPR1ACYP2C9
SCHEMBL8560098 0.86 AVPR2 (0.56) AVPR2AVPR1ACYP2C9
SCHEMBL8562554 0.85 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8556841 0.85 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8559571 0.85 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8561595 0.85 ACHE (0.61) AVPR2AVPR1A
SCHEMBL8556807 0.85 AVPR2 (0.56) AVPR2AVPR1ACYP2C9
SCHEMBL8558428 0.85 AVPR2 (0.57) 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