SCHEMBL8557787

SCHEMBL8557787

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)c(Cl)c1)c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.50
KCNK3 O14649 4/20 0.45
KCNK9 Q9NPC2 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
AVPR2 P30518 11/20 0.42
AVPR1A P37288 8/20 0.42
F2R P25116 1/20 0.42
OXTR P30559 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
BRAF P15056 1/20 0.40
GPR27 Q9NS67 1/20 0.39

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
SCHEMBL8556562 0.87 KCNK3 (0.44) PNLIPKCNK3KCNK9RXFP1AVPR2
SCHEMBL8559867 0.86 RAB9A (0.47) AVPR2AVPR1A
SCHEMBL8561421 0.86 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8556938 0.84 AVPR2 (0.56) PNLIPAVPR2AVPR1AOXTR
SCHEMBL8556908 0.84 RAB9A (0.47) AVPR2AVPR1A
SCHEMBL8561432 0.84 AVPR2 (0.55) AVPR2AVPR1AGPR27
SCHEMBL8561799 0.82 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8558373 0.82 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8564681 0.82 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8557265 0.82 AVPR2 (0.58) AVPR2AVPR1AOXTR

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