SCHEMBL8555591

SCHEMBL8555591

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.53
AVPR1A P37288 4/20 0.53

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
SCHEMBL8559312 0.90 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL8556946 0.88 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8557423 0.86 ACHE (0.51) AVPR2AVPR1A
SCHEMBL8562058 0.85 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL8562629 0.84 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL8563299 0.84 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8556851 0.84 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8563516 0.84 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8557995 0.84 KCNJ5 (0.47) AVPR2AVPR1A
SCHEMBL8556570 0.82 AVPR2 (0.56) 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