SCHEMBL7471664

SCHEMBL7471664

O=[N+]([O-])c1cc2c(NC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncnc2cc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.55
CNR2 P34972 12/20 0.55
GPR174 Q9BXC1 3/20 0.41
IKBKB O14920 2/20 0.40

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
SCHEMBL7470513 0.93 CNR1 (0.53) CNR1CNR2GPR174
SCHEMBL7458947 0.90 CCR6 (0.46) CNR1CNR2
SCHEMBL7468264 0.83 PAK1 (0.48)
SCHEMBL7464197 0.83 SMN1; SMN2 (0.48) GPR174
SCHEMBL7468263 0.83 CNR1 (0.38) CNR1CNR2
SCHEMBL7459033 0.80 MAPT (0.46)
SCHEMBL7458931 0.79 NSD2 (0.56) CNR1CNR2
SCHEMBL7463150 0.79 CYP1A2 (0.41) CNR1CNR2
SCHEMBL7463135 0.78 CNR1 (0.53) CNR1CNR2GPR174
SCHEMBL7463091 0.78 USP10 (0.50) CNR1CNR2

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed