SCHEMBL28811757

SCHEMBL28811757

Brc1ccccc1CNCCc1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 3/20 0.78
MC5R P33032 2/20 0.78
MC3R P41968 2/20 0.78
HTR2A P28223 3/20 0.62
GAA P10253 1/20 0.60
HTR6 P50406 3/20 0.60
G6PD P11413 1/20 0.59
HTR1A P08908 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
KCNT1 Q5JUK3 1/20 0.57
DRD2 P14416 1/20 0.56
HTR7 P34969 1/20 0.56
MPO P05164 1/20 0.55
KMT2A Q03164 2/20 0.54

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
SCHEMBL798249 0.88 MC1R (1.00) MC1RMC5RMC3RHTR2AGAA
SCHEMBL28268915 0.84 MC5R (0.80) MC1RMC5RMC3RHTR2AGAA
SCHEMBL17232881 0.83 MC5R (0.83) MC1RMC5RMC3RHTR2AHTR6
SCHEMBL18770219 0.83 MC5R (0.78) MC1RMC5RMC3RHTR2AGAA
SCHEMBL7970552 0.81 MC5R (0.81) MC1RMC5RMC3RHTR2AHTR6
SCHEMBL830201 0.81 MC5R (0.79) MC1RMC5RMC3RHTR2AHTR6
SCHEMBL23745543 0.80 MC5R (0.73) MC1RMC5RMC3RHTR2AGAA
Hydrochloric Acid SCHEMBL11188453 0.79 MC5R (0.77) MC1RMC5RMC3RHTR2AHTR6
Hydrochloric Acid SCHEMBL23721993 0.79 MC5R (0.71) MC1RMC5RMC3RHTR2AGAA
SCHEMBL23745814 0.79 KMT2A (0.69) MC1RMC5RMC3RHTR2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853820-A Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2022-08-05 CN claimed
CN-114853820-B Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2023-12-15 CN disclosed
CN-114853820-A Ferrocene and camphorsulfonic acid composite derivative, preparation method thereof and application thereof in catalyzing asymmetric P-S reaction 江苏医药职业学院 2022-08-05 CN disclosed