SCHEMBL7243978

SCHEMBL7243978

CCCOC(=O)CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2cccc(C)c2)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 8/20 0.42
▸ CHRM3 P20309 1/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MTTP P55157 1/20 0.39

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
SCHEMBL7242838 0.95 HTR7 (0.45) HTR7CHRM3HTR1ADRD4DRD2
SCHEMBL7241958 0.93 HTR7 (0.47) HTR7HTR1ADRD4DRD2HTR6
SCHEMBL7239257 0.93 HTR7 (0.49) HTR7CHRM3HTR1ADRD2HTR6
SCHEMBL7232909 0.92 HTR7 (0.48) HTR7CHRM3HTR1ADRD4DRD2
SCHEMBL7242636 0.92 DRD4 (0.43) HTR7HTR1ADRD4DRD2HTR6
SCHEMBL7242545 0.91 KCNA3 (0.44) HTR7HTR1ADRD4DRD2HTR6
SCHEMBL7239052 0.91 HTR7 (0.41) HTR7CHRM3HTR1ADRD4DRD2
SCHEMBL7242389 0.89 DRD4 (0.41) HTR7CHRM3HTR1ADRD4DRD2
SCHEMBL7235987 0.89 HTR7 (0.49) HTR7CHRM3HTR1ADRD2HTR6
SCHEMBL7234349 0.88 HTR7 (0.50) HTR7HTR1ADRD4DRD2HTR6

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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