SCHEMBL5074055

SCHEMBL5074055

O=[N+]([O-])c1cccc2c1C=CN(C1CN3CCC1CC3)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNA7 P36544 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5073994 0.80 LMNA (0.36) LMNA
SCHEMBL29607124 0.73 HTR3A (0.48) ADRA2ASLC6A4ADRA1ADRD3KCNH2
SCHEMBL28393356 0.70 TDP1 (0.39) LMNA
Hydrochloric Acid SCHEMBL11734144 0.69 TDP1 (0.41) LMNA
SCHEMBL4378946 0.67 GAA (0.51)
SCHEMBL5139533 0.65 RAB9A (0.38) LMNA
Bromide SCHEMBL11733192 0.64 SMN1; SMN2 (0.37) LMNA
SCHEMBL28298086 0.64 GPR35 (0.36) LMNA
SCHEMBL7279254 0.63 MEN1 (0.56) LMNA
SCHEMBL7278839 0.63 MEN1 (0.56) LMNA

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-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed