SCHEMBL6793367

SCHEMBL6793367

Cc1cccc(-c2cccc(N3CCN(CCCCC4(C(=O)NCC(F)(F)F)c5ccccc5-c5ccccc54)CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.52
KCNH2 Q12809 4/20 0.52
DRD3 P35462 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MTR Q99707 1/20 0.52
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL6787814 0.94 MTTP (0.54) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6795157 0.94 MTTP (0.54) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6798483 0.94 MTTP (0.50) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6793194 0.93 MTTP (0.55) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6799304 0.92 MTTP (0.52) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6800457 0.91 MTTP (0.53) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6797603 0.91 MTTP (0.52) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6790568 0.90 DRD3 (0.58) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6793768 0.90 MTTP (0.52) MTTPKCNH2DRD3CHRM2ADRA2A
SCHEMBL6787421 0.90 MTTP (0.54) MTTPKCNH2DRD3CHRM2ADRA2A

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