SCHEMBL7238532

SCHEMBL7238532

CCOC(=O)CC(CC)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SLC6A12 P48065 1/20 0.42
▸ CCR1 P32246 3/20 0.40
▸ CCR3 P51677 2/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ HTR4 Q13639 3/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ MTTP P55157 1/20 0.38

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
SCHEMBL7243455 0.95 HTR7 (0.45) HTR7HTR1ACCR1CCR3HTR4
SCHEMBL7238553 0.94 HTR7 (0.43) HTR7HTR1ASLC6A12CCR1CCR3
SCHEMBL7235483 0.94 HTR7 (0.43) HTR7HTR1ASLC6A12CCR1CCR3
SCHEMBL7237774 0.92 KCNA3 (0.42) HTR7HTR1ASLC6A12CCR1CCR3
SCHEMBL7242396 0.91 HTR7 (0.41) HTR7HTR1ASLC6A12CCR1CCR3
SCHEMBL7238486 0.90 HTR7 (0.43) HTR7HTR1ASLC6A12CCR1CCR3
SCHEMBL7241813 0.90 HTR7 (0.46) HTR7HTR1ASLC6A12CCR3HTR4
SCHEMBL7232202 0.89 HTR7 (0.49) HTR7CCR3CHRM2ADRA2AADORA3
SCHEMBL7570480 0.89 SLC6A12 (0.48) HTR7HTR1ASLC6A12CCR3UBE2M
SCHEMBL7242757 0.89 MTTP (0.42) HTR7HTR1ACCR1CCR3HTR4

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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