SCHEMBL7243198

SCHEMBL7243198

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 7/20 0.44
▸ DRD4 P21917 3/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ CHRM3 P20309 3/20 0.40
▸ MTTP P55157 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 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
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MTR Q99707 1/20 0.40
▸ HTR1A P08908 2/20 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
SCHEMBL7239052 0.95 HTR7 (0.41) HTR7DRD4CCR3CHRM3MTTP
SCHEMBL7242284 0.95 HTR7 (0.43) HTR7DRD4CCR3CHRM3MTTP
SCHEMBL7232202 0.94 HTR7 (0.49) HTR7DRD4CCR3MTTPCHRM2
SCHEMBL7233263 0.93 HTR7 (0.49) HTR7CCR3CHRM3MTTPCHRM2
SCHEMBL7241813 0.93 HTR7 (0.46) HTR7DRD4CCR3CHRM3MTTP
SCHEMBL7238366 0.93 KCNA3 (0.42) HTR7DRD4CCR3MTTPCHRM2
SCHEMBL7235275 0.92 HTR7 (0.41) HTR7DRD4CCR3MTTPCHRM2
SCHEMBL7231934 0.92 HTR7 (0.46) HTR7DRD4CCR3MTTPCHRM2
SCHEMBL7242838 0.90 HTR7 (0.45) HTR7DRD4CCR3CHRM3MTTP
SCHEMBL7241386 0.89 CCR3 (0.47) HTR7CCR3MTTPCHRM2ADRA2A

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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