SCHEMBL8562029

SCHEMBL8562029

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.58
AVPR1A P37288 4/20 0.58
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL8560660 0.87 NPC1 (0.54) AVPR2AVPR1A
SCHEMBL8558555 0.85 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8560800 0.84 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL8558993 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL7357045 0.83 AVPR2 (0.68) AVPR2AVPR1ALMNATP53
SCHEMBL7334195 0.83 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL8560873 0.82 ACHE (0.60) AVPR2AVPR1A
SCHEMBL7369344 0.82 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8564269 0.82 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8560986 0.82 LMNA (0.56) AVPR2AVPR1ALMNA

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