SCHEMBL7420931

SCHEMBL7420931

CCC(=O)CON1CCc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ DRD1 P21728 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL7423871 0.89 L3MBTL1 (0.41) ACHEHTR1ADRD1ALDH1A1DRD2
SCHEMBL7307524 0.73 KMT2A (0.44) ACHEALDH1A1DRD2MAPTMEN1
SCHEMBL15727806 0.73 HTR1A (0.50) ACHEHTR1ADRD1ALDH1A1DRD2
SCHEMBL31537993 0.70 HTR1A (0.44) ACHEHTR1ADRD1ALDH1A1DRD2
SCHEMBL7418416 0.69 KDM4E (0.39) ALDH1A1DRD2MAPTCASP1CASP7
SCHEMBL1951457 0.67 CYP1A2 (0.46) ACHEALDH1A1MAPTCASP1CASP3
SCHEMBL22145710 0.65 DPP7 (0.54) ALDH1A1DRD2MAPTGAADPP7
SCHEMBL1295027 0.65 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2A
SCHEMBL12549292 0.65 SMN1; SMN2 (0.48) ALDH1A1DRD2MAPT
SCHEMBL7419302 0.64 DPP7 (0.42) ALDH1A1DRD2MAPTGAASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602145-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 — — US disclosed
EP-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 — — EP disclosed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 — — EP disclosed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 — — WO disclosed
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