SCHEMBL6958135

SCHEMBL6958135

Cc1cc(Cc2[c]cccc2OCCN2CCCC2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 4/20 0.46
HRH1 P35367 6/20 0.46
DRD1 P21728 3/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
DRD3 P35462 3/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
DRD2 P14416 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL6963357 0.82 TDP1 (0.44) TDP1LTA4HDRD1DRD3CYP2D6
SCHEMBL7447035 0.80 PSMB1 (0.64) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL6961322 0.80 HRH1 (0.51) TDP1LTA4HHRH1DRD1DRD4
SCHEMBL7447444 0.79 LTA4H (0.54) TDP1LTA4HHRH1DRD1DRD4
SCHEMBL7447332 0.78 LTA4H (0.54) TDP1LTA4HHRH1DRD1DRD4
SCHEMBL7348634 0.76 PSMB1 (0.55) LTA4H
SCHEMBL6957785 0.74 LTA4H (0.46) LTA4HKDM4E
SCHEMBL7346727 0.74 LTA4H (0.46) TDP1LTA4HHRH1DRD1DRD4
SCHEMBL6963616 0.74 LTA4H (0.52) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL7354993 0.73 PSMB1 (0.51) LTA4H

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