SCHEMBL6794589

SCHEMBL6794589

COc1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4Oc4ccccc43)CC2)n1

nearest known ligand 0.53

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
HTR2C P28335 1/20 0.51
MTTP P55157 4/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
MTR Q99707 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
SCHEMBL7118283 0.92 DRD3 (0.55) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL7723361 0.88 DRD3 (0.53) DRD3HTR1AHTR2AHTR2CADRA1A
SCHEMBL6771974 0.88 DRD3 (0.41) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL6771083 0.86 HTR1A (0.42) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL6766410 0.85 DRD3 (0.48) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL6793155 0.85 MTTP (0.47) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL6797399 0.84 MTTP (0.49) DRD3HTR1AHTR2AHTR2CMTTP
SCHEMBL6776946 0.84 DRD3 (0.41) DRD3HTR1AHTR2AMTTPCHRM2
SCHEMBL6771099 0.83 MTTP (0.43) DRD3HTR1AMTTPCHRM2ADRA2A
SCHEMBL6777748 0.83 HTR1A (0.48) DRD3HTR1AHTR2AMTTPCHRM2

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