SCHEMBL9308731

SCHEMBL9308731

CCCCNCc1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 4/20 0.73
MC5R P33032 3/20 0.69
MC3R P41968 2/20 0.69
HTR2A P28223 2/20 0.59
MTNR1A P48039 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
AHR P35869 1/20 0.51
GPR84 Q9NQS5 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SSTR3 P32745 1/20 0.51

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
SCHEMBL11922719 0.95 MC1R (0.71) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28418872 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28416606 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28416580 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28412119 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28417266 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28412090 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL28412212 0.94 MC1R (0.69) MC1RMC5RMC3RHTR2AMTNR1A
SCHEMBL11922707 0.90 MC1R (0.73) MC1RMC5RMC3RHTR2AKDM4E
SCHEMBL11178880 0.86 HTR2A (0.75) MC1RMC5RMC3RHTR2AMTNR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352677-A Antihyperlipidemic agents KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-10-04 US disclosed
EP-0407200-B1 Cinnamamide derivatives KANEGAFUCHI CHEMICAL IND (JP) 1994-06-01 EP disclosed
US-5294624-A Antiartheriosclerosis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-03-15 US disclosed
US-5294643-A Cinnamamide derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 1994-03-15 US disclosed
EP-0407200-A1 Cinnamamide derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-09 EP disclosed