SCHEMBL7236914

SCHEMBL7236914

CC(C)(C)OC(=O)CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.49
▸ MTTP P55157 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MTR Q99707 1/20 0.47
▸ KCNA3 P22001 1/20 0.45
▸ HTR7 P34969 6/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45

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
SCHEMBL7236793 0.94 MTTP (0.54) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7233702 0.94 CCR3 (0.49) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7235514 0.93 MTTP (0.55) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7237242 0.93 KCNA3 (0.46) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7243139 0.92 CCR3 (0.47) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7241197 0.92 KCNA3 (0.45) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7241029 0.92 KCNA3 (0.45) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7241018 0.91 CCR3 (0.49) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7239511 0.91 CCR3 (0.47) CCR3MTTPDRD3CHRM2ADRA2A
SCHEMBL7242783 0.91 MTTP (0.46) CCR3MTTPDRD3CHRM2ADRA2A

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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