SCHEMBL7399735

SCHEMBL7399735

COC(=O)CC1Sc2ccc([N+](=O)[O-])cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GRIN2B Q13224 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2A P28223 1/20 0.38
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7398866 0.90 ATM (0.43) ATMALDH1A1GRIN2BSIGMAR1HTR2A
SCHEMBL7402204 0.85 OPRM1 (0.40) SIGMAR1HTTHSD17B10
SCHEMBL7399738 0.75 ATM (0.40) ATMLMNAALDH1A1GRIN2BSIGMAR1
SCHEMBL7399199 0.73 ATM (0.49) ATMLMNAALDH1A1HTR2AHTT
SCHEMBL7391555 0.72 ITGB3 (0.60)
SCHEMBL7391549 0.72 ITGB3 (0.60)
SCHEMBL7401190 0.71 MEN1 (0.44) ATMALDH1A1GRIN2BSIGMAR1MEN1
SCHEMBL7393650 0.68 ITGB3 (0.68)
SCHEMBL7393656 0.68 ITGB3 (0.68)
SCHEMBL7400527 0.67 ATM (0.41) ATMGRIN2BSIGMAR1HTR2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
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
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed