SCHEMBL6081885

SCHEMBL6081885

Clc1ccccc1N1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
GSK3B P49841 3/20 0.52
ROCK1 Q13464 1/20 0.50
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
CDK4 P11802 1/20 0.47
ALOX15 P16050 1/20 0.47
CCND1 P24385 1/20 0.47
SRD5A1 P18405 2/20 0.46
ADRB1 P08588 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GRM1 Q13255 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL15345494 0.87 DRD3 (0.50) MAPTGSK3BROCK1LMNATP53
SCHEMBL29652020 0.85 GSK3B (0.50) MAPTGSK3BROCK1LMNATP53
SCHEMBL8938754 0.78 LMNA (0.53) ROCK1LMNATP53MAPK1MEN1
SCHEMBL3233624 0.77 DRD2 (0.47) MAPTLMNAADRB1SIGMAR1ADRA2A
SCHEMBL23864705 0.77 DRD2 (0.47) MAPTROCK1ALDH1A1ADRB1SMN1; SMN2
SCHEMBL25026229 0.76 ALDH1A1 (0.55) ROCK1LMNATP53MAPK1MEN1
Hydrochloric Acid SCHEMBL10547839 0.76 MAPK1 (0.51) MAPTROCK1LMNATP53MAPK1
SCHEMBL10625689 0.75 POLB (0.51) MAPTGSK3BROCK1LMNATP53
SCHEMBL29542545 0.75 ALDH1A1 (0.53) MAPTROCK1LMNATP53MAPK1
SCHEMBL3905172 0.75 ALDH1A1 (0.53) MAPTROCK1LMNATP53MAPK1

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-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed