SCHEMBL6791508

SCHEMBL6791508

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3ccccc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.58
DRD3 P35462 2/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
MTR Q99707 1/20 0.58
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL6792149 0.94 MTTP (0.59) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL5863757 0.93 MTTP (0.55) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6798839 0.93 MTTP (0.56) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6794059 0.92 MTTP (0.66) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6792357 0.92 MTTP (0.55) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6793194 0.92 MTTP (0.55) MTTPDRD3CHRM2ADRA2AADORA3
Hydrochloric Acid SCHEMBL6794684 0.92 MTTP (0.57) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6793683 0.91 MTTP (0.56) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL5863936 0.91 MTTP (0.53) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6795011 0.91 MTTP (0.54) MTTPDRD3CHRM2ADRA2AADORA3

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