SCHEMBL6719658

SCHEMBL6719658

COc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.56
DRD2 P14416 14/20 0.53
DRD3 P35462 12/20 0.53
DRD4 P21917 7/20 0.53
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6808300 0.85 CCR2 (0.48) CCR2DRD2DRD3DRD4ADRA1A
SCHEMBL6806505 0.82 CCR3 (0.55) CCR2DRD2DRD3DRD4HTR1A
SCHEMBL6710630 0.81 CCR2 (0.53) CCR2DRD2DRD3DRD4ADRA1A
Hydrochloric Acid SCHEMBL6811480 0.81 DRD2 (0.51) CCR2DRD2DRD3DRD4ADRA1A
SCHEMBL3109401 0.81 DRD2 (0.51) CCR2DRD2DRD3DRD4ADRA1A
SCHEMBL6724395 0.76 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL6720905 0.75 SLC6A4 (0.54) DRD2DRD3DRD4
SCHEMBL5937227 0.75 DRD2 (0.44) CCR2DRD2DRD3DRD4HTR1A
SCHEMBL1542774 0.75 DRD2 (0.43) CCR2DRD2DRD3DRD4ADRA1A
SCHEMBL5937250 0.74 DRD2 (0.47) CCR2DRD2DRD3DRD4KCNH2

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
US-6673555-B1 USE OF SREBP CLEAVAGE-ACTIVATING PROTEIN (SCAP) TO SCREEN FOR AGENTS HAVING SCAP BINDING CHARACTERISTICS; USE IN COMBATING DISEASES ASSOCIATED WITH ELEVATED BLOOD LIPID LEVELS; SREBP: STEROL REGULATORY ELEMENT BINDING PROTEIN SMITHKLINE BEECHAM CORPORATION 2004-01-06 US disclosed
US-20030224347-A1 Pharmaceutical compositions GRAND-PERRET THIERRY ANDRE REG (FR) 2003-12-04 US disclosed