SCHEMBL6793543

SCHEMBL6793543

COc1cccc(-c2cccc(N3CCN(CCCCC4(C(=O)NCC(F)(F)F)c5ccccc5-c5ccccc54)CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.51
MTTP P55157 3/20 0.51
KCNH2 Q12809 3/20 0.51
DRD1 P21728 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MTR Q99707 1/20 0.51
HTR1A P08908 7/20 0.49
HTR7 P34969 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 2/20 0.46

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
SCHEMBL6792010 0.95 MTTP (0.52) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6793761 0.95 DRD3 (0.52) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6794621 0.94 MTTP (0.48) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6793194 0.91 MTTP (0.55) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6792834 0.91 MTTP (0.52) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6793367 0.90 MTTP (0.52) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6795157 0.89 MTTP (0.54) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6800457 0.89 MTTP (0.53) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6797603 0.89 MTTP (0.52) DRD3MTTPKCNH2DRD1CHRM2
SCHEMBL6787421 0.88 MTTP (0.54) DRD3MTTPKCNH2DRD1CHRM2

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-6818644-B1 FLUORENE-9-CARBOXYLIC AMIDES; INHIBITORS OF MICROSOMAL TRIGLYSERIDE-TRANSFER PROTEIN (MTP); ANTILIPEMIC AGENTS; ATHEROSCLEROSIS, DIABETES, EATING DISORDERS, AND PANCREATITIS BOEHRINGER INGELHEIM PHARM GMBH & CO, KG (DE) 2004-11-16 US disclosed