SCHEMBL6800835

SCHEMBL6800835

COc1ccc(Cl)cc1N1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1B P35368 3/20 0.49
DRD3 P35462 3/20 0.49
MTTP P55157 2/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
MTR Q99707 1/20 0.49
LMNA P02545 1/20 0.49
DRD2 P14416 3/20 0.47
CACNA1G O43497 1/20 0.47

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
SCHEMBL6792905 0.90 DRD2 (0.55) ADRA1AADRA1DADRA1BDRD3MTTP
SCHEMBL7720581 0.88 ADRA1A (0.49) ADRA1AADRA1DADRA1BDRD3LMNA
SCHEMBL6792386 0.86 MTTP (0.50) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6795011 0.84 MTTP (0.54) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6601067 0.84 MTTP (0.67) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6792357 0.84 MTTP (0.55) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6777817 0.83 MTTP (0.50) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6777616 0.83 MTTP (0.50) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6791874 0.82 MTTP (0.55) ADRA1ADRD3MTTPCHRM2ADRA2A
SCHEMBL6792683 0.82 MTTP (0.58) ADRA1ADRD3MTTPCHRM2ADRA2A

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