SCHEMBL8558555

SCHEMBL8558555

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.55
AVPR1A P37288 3/20 0.55
ACHE P22303 1/20 0.48

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
SCHEMBL8559877 0.90 AVPR2 (0.53) AVPR2AVPR1AACHE
SCHEMBL8565071 0.86 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL8562029 0.85 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8316505 0.83 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL8317932 0.83 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL8560660 0.82 NPC1 (0.54) AVPR2AVPR1AACHE
SCHEMBL8317328 0.82 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8557853 0.82 AVPR2 (0.55) AVPR2AVPR1AACHE
SCHEMBL8560800 0.81 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL8558993 0.81 AVPR2 (0.65) 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