SCHEMBL6957964

SCHEMBL6957964

Clc1cc(Cc2[c]cccc2OCCN2CCCC2)ccc1Sc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.45
MAP2K1 Q02750 1/20 0.42
TSHR P16473 1/20 0.39
KCNA5 P22460 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 3/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL7447332 0.77 LTA4H (0.54) LTA4HTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL6964501 0.77 LTA4H (0.48) LTA4HHRH3
SCHEMBL7417412 0.73 F2 (0.52) LTA4H
SCHEMBL6961322 0.71 HRH1 (0.51) LTA4HTSHRHRH1DRD1DRD4
SCHEMBL7447035 0.71 PSMB1 (0.64) LTA4HHRH3HRH1DRD1DRD4
SCHEMBL6958135 0.70 TDP1 (0.49) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL7447444 0.69 LTA4H (0.54) LTA4HCYP1A2CYP2D6ALDH1A1HRH1
SCHEMBL7348634 0.68 PSMB1 (0.55) LTA4HHRH3
SCHEMBL6957113 0.68 LTA4H (0.45) LTA4HL3MBTL1HRH3HRH1DRD1
SCHEMBL6963357 0.66 TDP1 (0.44) LTA4HTSHRKCNA5CYP2D6CYP2C19

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
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed