SCHEMBL6966422

SCHEMBL6966422

Cc1nc(COc2ccc(C(=O)c3[c]cccc3OCCN3CCCC3)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
LTA4H P09960 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GCGR P47871 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42
ESR1 P03372 7/20 0.42
ESR2 Q92731 7/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6957113 0.82 LTA4H (0.45) L3MBTL1LTA4HPSMB1PSMB5PSMB2
SCHEMBL7440055 0.82 PSMB1 (0.68) LTA4HPSMB1PSMB5PSMB2GCGR
SCHEMBL7139717 0.80 L3MBTL1 (0.54) L3MBTL1LTA4HPSMB1PSMB5PSMB2
SCHEMBL6967272 0.79 DRD2 (0.56) LTA4HPSMB1PSMB5PSMB2MEN1
SCHEMBL7346853 0.79 PSMB1 (0.54) LTA4HPSMB1PSMB5PSMB2MEN1
SCHEMBL7412759 0.76 ESR1 (0.72) MEN1KMT2ADRD2DRD1DRD3
SCHEMBL6955429 0.69 L3MBTL1 (0.51) L3MBTL1LTA4HPSMB1PSMB5PSMB2
SCHEMBL6977670 0.69 PKM (0.53) L3MBTL1MEN1KMT2AKDM4EPKM
SCHEMBL23488108 0.68 SMN1; SMN2 (0.57) L3MBTL1MEN1KMT2APKM
SCHEMBL6597214 0.67 PSMB1 (0.97) LTA4HPSMB1PSMB5PSMB2GCGR

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