SCHEMBL7236097

SCHEMBL7236097

CCC(CCCN1CCC(NC(=O)c2ccccc2-c2cccc(Cl)c2)CC1)(CC(=O)OC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.47
▸ HTR1A P08908 3/20 0.47
▸ CHRM1 P11229 3/20 0.44
▸ HTR4 Q13639 3/20 0.42
▸ DRD4 P21917 3/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ MTTP P55157 2/20 0.41
▸ SLC6A12 P48065 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL7241813 0.94 HTR7 (0.46) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7235446 0.93 HTR7 (0.46) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7244723 0.93 HTR7 (0.47) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7235521 0.93 HTR7 (0.45) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7241451 0.92 HTR7 (0.49) HTR7HTR1ACHRM1DRD4CHRM2
SCHEMBL7242284 0.92 HTR7 (0.43) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7242329 0.92 MTTP (0.44) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7234244 0.91 HTR7 (0.48) HTR7HTR1ACHRM1DRD4CHRM2
SCHEMBL7234716 0.89 HTR7 (0.49) HTR7HTR1ACHRM1HTR4DRD4
SCHEMBL7235483 0.89 HTR7 (0.43) HTR7HTR1AHTR4CCR3SLC6A12

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
Send feedback