SCHEMBL6792341

SCHEMBL6792341

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.59
ADRA1A P35348 3/20 0.59
DRD1 P21728 3/20 0.59
MTTP P55157 2/20 0.59
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
OPRM1 P35372 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
MTR Q99707 1/20 0.59
DRD2 P14416 8/20 0.56
DRD5 P21918 2/20 0.54
HTR7 P34969 5/20 0.53
SIGMAR1 Q99720 1/20 0.52
HTR1A P08908 5/20 0.51

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
SCHEMBL6790568 0.95 DRD3 (0.58) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6789961 0.91 MTTP (0.59) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6793491 0.91 MTTP (0.64) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6795011 0.90 MTTP (0.54) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6794059 0.90 MTTP (0.66) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6791508 0.90 MTTP (0.58) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6793194 0.90 MTTP (0.55) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL5863936 0.89 MTTP (0.53) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6794169 0.88 MTTP (0.54) DRD3ADRA1ADRD1MTTPCHRM2
SCHEMBL6787226 0.88 MTTP (0.68) DRD3ADRA1ADRD1MTTPCHRM2

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