SCHEMBL7241958

SCHEMBL7241958

CCCOC(=O)CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 7/20 0.47
▸ HTR1A P08908 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ MTTP P55157 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MTR Q99707 1/20 0.44

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
SCHEMBL7235373 0.95 MTTP (0.44) HTR7HTR1AGAADRD2HTR6
SCHEMBL7233905 0.95 MTTP (0.43) HTR7HTR1AGAADRD2HTR6
SCHEMBL7234704 0.95 CCR3 (0.46) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7232099 0.95 MTTP (0.43) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7232871 0.94 POLB (0.46) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7241861 0.94 MTTP (0.52) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7234349 0.93 HTR7 (0.50) HTR7HTR1AGAADRD2HTR6
SCHEMBL7243978 0.93 HTR7 (0.42) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7239257 0.93 HTR7 (0.49) HTR7HTR1ADRD2HTR6MTTP
SCHEMBL7232909 0.93 HTR7 (0.48) HTR7HTR1ADRD2HTR6MTTP

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-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 — — US disclosed
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