SCHEMBL8401237

SCHEMBL8401237

NN=Cc1ccc(C(=O)C2(CC(=O)O)CN(CCc3ccccc3)C(=O)c3ccccc3N2N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
OPRM1 P35372 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PARK7 Q99497 3/20 0.32
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 6/20 0.32
ALDH2 P05091 2/20 0.32
ALDH3A1 P30838 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 2/20 0.31

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
SCHEMBL7395503 0.80 ALDH1A1 (0.37) CACNA1GCACNA1HCACNA1IOPRM1SIGMAR1
SCHEMBL8402368 0.79 PARP1 (0.33) CACNA1GCACNA1HCACNA1IOPRM1SIGMAR1
SCHEMBL8398839 0.77 PARP1 (0.41) ALDH1A1PARP1PARP2MAPTLMNA
SCHEMBL8402381 0.74 ALDH1A1 (0.33) PARK7ALDH1A1PARP1PARP2MAPT
SCHEMBL8402387 0.73 MAPT (0.37) ALDH1A1MAPTLMNAKDM4EPOLB
SCHEMBL8402362 0.73 PARP1 (0.40) CACNA1GCACNA1HCACNA1IOPRM1PARK7
SCHEMBL7401018 0.72 ITGB3 (0.43) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL8398963 0.69 ALDH1A1 (0.35) PARK7ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL7397343 0.67 ITGB3 (0.43) CACNA1GCACNA1HCACNA1IITGB3ITGA2B
SCHEMBL8518520 0.67 MAPT (0.39) ALDH1A1MAPTLMNAMAPK1KDM4E

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
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US claimed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed