SCHEMBL6792370

SCHEMBL6792370

Cc1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.53
HTR1A P08908 4/20 0.53
HTR2A P28223 4/20 0.53
MTTP P55157 5/20 0.53
KCNH2 Q12809 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
SLC6A3 Q01959 1/20 0.53
MTR Q99707 1/20 0.53
HTR2C P28335 2/20 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
SCHEMBL7118283 0.89 DRD3 (0.55) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6794783 0.88 MTTP (0.55) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6797399 0.88 MTTP (0.49) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6799205 0.87 DRD3 (0.55) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6787550 0.87 MTTP (0.52) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6793499 0.86 HTR1A (0.51) DRD3HTR1AHTR2AKCNH2DRD1
SCHEMBL7720309 0.86 DRD3 (0.51) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6766384 0.86 DRD3 (0.53) DRD3HTR1AMTTPKCNH2CHRM2
SCHEMBL6792187 0.86 MTTP (0.49) DRD3HTR1AHTR2AMTTPKCNH2
SCHEMBL6770308 0.85 MTTP (0.49) DRD3HTR1AMTTPKCNH2CHRM2

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