SCHEMBL7244723

SCHEMBL7244723

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 0.47
▸ HTR1A P08908 4/20 0.47
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ MTTP P55157 1/20 0.39
▸ HTR4 Q13639 2/20 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
SCHEMBL7241813 0.94 HTR7 (0.46) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7236097 0.93 HTR7 (0.47) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7242275 0.93 HTR7 (0.46) HTR7HTR1ACHRM1DRD4DRD2
SCHEMBL7235735 0.92 HTR7 (0.48) HTR7HTR1ACHRM1CHRM3DRD2
SCHEMBL7239052 0.92 HTR7 (0.41) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7242757 0.92 MTTP (0.42) HTR7HTR1ACHRM1DRD4POLB
SCHEMBL7235446 0.91 HTR7 (0.46) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7232909 0.91 HTR7 (0.48) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7235521 0.90 HTR7 (0.45) HTR7HTR1ACHRM1CHRM3DRD4
SCHEMBL7238553 0.90 HTR7 (0.43) HTR7HTR1APOLBCCR3HTR4

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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