SCHEMBL6799304

SCHEMBL6799304

Cc1ccccc1-c1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 8/20 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
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
MTR Q99707 1/20 0.52
SMYD2 Q9NRG4 1/20 0.43

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
SCHEMBL6793367 0.92 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6793194 0.92 MTTP (0.55) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6795157 0.91 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6793464 0.91 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6794211 0.91 MTTP (0.58) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6791939 0.90 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6794169 0.90 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6792834 0.90 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6800457 0.89 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6797603 0.89 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1

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