SCHEMBL1471418

SCHEMBL1471418

CC(C)c1ccccc1NCCNCc1cccc(C2CCCC[N]2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
CXCR4 P61073 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL1471527 0.74 HTR1A (0.75) HTR1ALMNA
SCHEMBL1471422 0.72 PRMT6 (0.53) ALDH1A1HTT
SCHEMBL1471374 0.69 HTR1A (0.38) HTR1A
SCHEMBL1471240 0.68 RAB9A (0.47) HTR1AALDH1A1LMNAHTT
SCHEMBL1471413 0.67 KDM4E (0.32)
SCHEMBL1473277 0.64 HTR1A (0.52) HTR1A
SCHEMBL6558765 0.63 HTR2C (0.45) LMNAHTT
SCHEMBL4175928 0.63 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1HTT
SCHEMBL10047122 0.63 L3MBTL1 (0.49) L3MBTL1LMNAHTTSIGMAR1
SCHEMBL186274 0.62 NOS1 (0.52) HTR1AALDH1A1LMNA

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
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed