SCHEMBL15061388

SCHEMBL15061388

O=C(O)CO[C@H]1Cc2ccccc2C12CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.37
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDM1A O60341 3/20 0.36
ALOX15 P16050 1/20 0.36
CD69 Q07108 1/20 0.35
HTR2A P28223 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL783757 1.00 SIGMAR1 (0.39) SIGMAR1OPRM1DPP9DPP7KDM1A
SCHEMBL380064 0.78 OPRM1 (0.38) SIGMAR1OPRM1KDM1A
Hydrochloric Acid SCHEMBL6669828 0.75 HTR2A (0.36) SIGMAR1OPRM1DPP9DPP7KDM1A
SCHEMBL30573675 0.71 MCHR2 (0.46) SIGMAR1KDM1AALOX15HTR2ADRD2
SCHEMBL4975811 0.71 MCHR2 (0.46) SIGMAR1KDM1AALOX15HTR2ADRD2
Hydrochloric Acid SCHEMBL6973147 0.70 MCHR2 (0.45) SIGMAR1KDM1AALOX15HTR2ADRD2
Hydrochloric Acid SCHEMBL6976186 0.70 MCHR2 (0.45) SIGMAR1KDM1AALOX15HTR2ADRD2
SCHEMBL379939 0.70 SIGMAR1 (0.37) SIGMAR1KDM1AHTR2AHTR2C
SCHEMBL379938 0.70 SIGMAR1 (0.37) SIGMAR1KDM1AHTR2AHTR2C
SCHEMBL21383813 0.70 KDM1A (0.53) SIGMAR1OPRM1DPP9DPP7KDM1A

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed