SCHEMBL8556562

SCHEMBL8556562

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.44
KCNK9 Q9NPC2 4/20 0.44
AVPR2 P30518 2/20 0.44
AVPR1A P37288 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NAMPT P43490 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PNLIP P16233 1/20 0.41
F2R P25116 1/20 0.41

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
SCHEMBL8557610 0.88 MAPT (0.52) AVPR2AVPR1A
SCHEMBL8557787 0.87 PNLIP (0.50) KCNK3KCNK9AVPR2AVPR1ARXFP1
SCHEMBL8562449 0.86 AVPR2 (0.46) KCNK3KCNK9AVPR2AVPR1ARXFP1
SCHEMBL8557883 0.84 MEN1 (0.50) AVPR2AVPR1ANAMPT
SCHEMBL8559885 0.83 AVPR2 (0.46) KCNK3KCNK9AVPR2AVPR1A
SCHEMBL8560617 0.82 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8559901 0.82 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL8559861 0.82 AURKA (0.47) AVPR2AVPR1A
SCHEMBL8561230 0.81 AVPR1A (0.46) AVPR2AVPR1A
SCHEMBL8557390 0.80 AVPR2 (0.52) 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