SCHEMBL2934405

SCHEMBL2934405

OCC1CCCN(CI)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.39
LTA4H P09960 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
TYMP P19971 2/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
EPHX2 P34913 1/20 0.33
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PNP P00491 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL26691334 0.87
SCHEMBL25147628 0.83 CYP2D6 (0.50) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL3431958 0.80 CYP2D6 (0.45) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL3897612 0.80 CYP2D6 (0.45) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL10064309 0.80 CYP2D6 (0.45) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL772309 0.79 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL1283526 0.79 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL645562 0.79 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL3431959 0.79 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4
SCHEMBL1283776 0.79 CYP2D6 (0.47) CYP2D6MAPTHTTLTA4HCYP3A4

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-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP disclosed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed