SCHEMBL7237786

SCHEMBL7237786

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ MTTP P55157 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MTR Q99707 1/20 0.45
▸ CCR3 P51677 1/20 0.44
▸ HTR7 P34969 3/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL7241401 0.95 POLB (0.45) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL6217670 0.94 POLB (0.47) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7235931 0.94 HTR7 (0.48) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7235574 0.94 HTR7 (0.45) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7241426 0.93 POLB (0.43) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7243454 0.93 MTTP (0.46) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7232871 0.92 POLB (0.46) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7233534 0.92 MTTP (0.45) MTTPDRD4CHRM2ADRA2AADORA3
SCHEMBL7233702 0.92 CCR3 (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241946 0.92 MTTP (0.45) POLBMTTPDRD4CHRM2ADRA2A

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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