SCHEMBL7237776

SCHEMBL7237776

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 4/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ MTR Q99707 1/20 0.54
▸ SLC6A5 Q9Y345 3/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ APOB P04114 3/20 0.41

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
SCHEMBL7232826 0.96 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7233468 0.95 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7237217 0.94 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241861 0.94 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7232254 0.94 MTTP (0.51) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241393 0.93 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7235753 0.93 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7232988 0.93 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7243424 0.93 MTTP (0.52) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6219047 0.93 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1

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
Send feedback