SCHEMBL7446161

SCHEMBL7446161

CSc1ccc(C(C(N)=O)N2CCC(NCC(O)C3COc4ccc(Cl)cc4O3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
HCRTR2 O43614 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCHR1 Q99705 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL7495730 0.90 CA2 (0.36) FFAR1CYP2C9CYP2B6SLCO1B3CA2
SCHEMBL7434312 0.90 MAPT (0.38) GAANPSR1ALDH1A1ADRA1DADRA1A
SCHEMBL10994839 0.85 FFAR1 (0.35) FFAR1CYP2C9CYP2B6SLCO1B3HCRTR2
SCHEMBL7437018 0.85 TSHR (0.32) FFAR1CA2GAAHTTNPSR1
SCHEMBL7435907 0.85 KDM4E (0.40) GAANPSR1ALDH1A1ADRA1DADRA1A
SCHEMBL7429561 0.84 CA2 (0.37) FFAR1CYP2C9CYP2B6SLCO1B3CA2
SCHEMBL7437936 0.84 CA2 (0.34) FFAR1CA2MCHR1HTR1ADRD2
SCHEMBL7430526 0.83 SPHK1 (0.30)
SCHEMBL7440714 0.83 MAPT (0.37) GAANPSR1ALDH1A1ADRA1DADRA1A
SCHEMBL7437126 0.82 MCHR1 (0.35) MCHR1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed