SCHEMBL8561230

SCHEMBL8561230

O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.46
AVPR2 P30518 8/20 0.46
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 2/20 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
SCHEMBL8558577 0.91 AVPR2 (0.57) AVPR1AAVPR2
SCHEMBL8557883 0.90 MEN1 (0.50) AVPR1AAVPR2MAPTTP53LMNA
SCHEMBL8561948 0.90 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL8557851 0.89 MAPT (0.48) AVPR1AAVPR2MAPTPOLBTP53
SCHEMBL8559861 0.87 AURKA (0.47) AVPR1AAVPR2
SCHEMBL8556942 0.86 NPC1 (0.49) MAPTTP53
SCHEMBL8557390 0.84 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL8558194 0.83 AKT1 (0.52) MAPTTP53LMNA
SCHEMBL8563496 0.83 AVPR2 (0.56) AVPR1AAVPR2MAPT
SCHEMBL8558117 0.83 AVPR2 (0.47) AVPR1AAVPR2POLBLMNA

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