SCHEMBL7396142

SCHEMBL7396142

O=C(O)CCNC(=O)CCc1cccc(CC2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.54
ITGA2B P08514 13/20 0.54
GBA1 P04062 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
ITGA2 P17301 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
SCHEMBL7399183 0.73 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL3199145 0.73 LMNA (0.66) KMT2AHPGD
SCHEMBL1633286 0.72 GBA1 (0.60) ITGB3ITGA2BGBA1
SCHEMBL4971265 0.71 NPC1 (0.58) ITGB3ITGA2BGBA1ALDH1A1HPGD
SCHEMBL16787792 0.71 GBA1 (0.54) ITGB3ITGA2BGBA1
SCHEMBL3199590 0.70 MTNR1A (0.62) ALDH1A1SMN1; SMN2
SCHEMBL16790144 0.70 GBA1 (0.50) GBA1ALDH1A1SMN1; SMN2
SCHEMBL7402093 0.70 ITGB3 (0.82) ITGB3ITGA2BKMT2ASMN1; SMN2ITGA2
SCHEMBL25788605 0.69 GBA1 (0.46) ITGB3ITGA2BGBA1
SCHEMBL7396150 0.69 ITGB3 (0.72) ITGB3ITGA2BITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP claimed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP claimed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO claimed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed