SCHEMBL16465396

SCHEMBL16465396

CC(C)(CC1CC1)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.47
OPRL1 P41146 2/20 0.32
CNR2 P34972 2/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL16462440 0.82 P2RX7 (0.51) P2RX7CNR2
SCHEMBL16462927 0.81 P2RX7 (0.42) P2RX7CNR2
SCHEMBL19464702 0.74 FOS (0.32) P2RX7
SCHEMBL2616425 0.72 P2RX7 (0.32) P2RX7
SCHEMBL22778748 0.69 P2RX7 (0.37) P2RX7
SCHEMBL23259090 0.68 GRM2 (0.38)
SCHEMBL22001877 0.68 CYP19A1 (0.34)
SCHEMBL8774959 0.67 ALDH1A1 (0.33) P2RX7
SCHEMBL8774938 0.67 ALDH1A1 (0.33) P2RX7
SCHEMBL8774949 0.67 ALDH1A1 (0.33) P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
WO-2014057078-A1 BENZAMIDES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed