SCHEMBL8587899

SCHEMBL8587899

CC(Cc1ccc2ccccc2c1)NCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
SIGMAR1 Q99720 4/20 0.56
ADRB2 P07550 2/20 0.51
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
CASR P41180 1/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MC5R P33032 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
Clobenzorex SCHEMBL31080692 0.83 LMNA (1.00) LMNASIGMAR1POLBMAPK1ATM
Clobenzorex SCHEMBL26720 0.83 LMNA (1.00) LMNASIGMAR1POLBMAPK1ATM
SCHEMBL23023142 0.82 SIGMAR1 (0.69) LMNASIGMAR1ADRB2HTR2AHTR2C
SCHEMBL13479679 0.82 LMNA (0.74) LMNASIGMAR1CASRPOLBMAPK1
Clobenzorex SCHEMBL1649957 0.81 LMNA (0.94) LMNASIGMAR1POLBMAPK1ATM
SCHEMBL18769860 0.78 ADRB2 (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B
SCHEMBL13995787 0.77 LMNA (0.71) LMNASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL19772457 0.75 LMNA (0.68) LMNAHTR2AHTR2CHTR2BCASR
SCHEMBL12767657 0.75 HTR2A (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B
SCHEMBL10023024 0.75 HTR2A (0.62) SIGMAR1ADRB2HTR2AHTR2CHTR2B

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
WO-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed