SCHEMBL8314973

SCHEMBL8314973

O=C(O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)CC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
KDM4E B2RXH2 2/20 0.36
ACHE P22303 4/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ORAI1 Q96D31 1/20 0.34

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
Hydrochloric Acid SCHEMBL7682728 0.99 ITGB3 (0.39) ITGB3ITGA2BKDM4EACHEMEN1
Hydrochloric Acid SCHEMBL7684919 0.88 RAB9A (0.36) KDM4EACHEMEN1RAB9AKMT2A
SCHEMBL9030284 0.88 POLB (0.39) KDM4EPOLBALDH1A1
SCHEMBL9030587 0.87 ITGB3 (0.50) ITGB3ITGA2BKDM4EMEN1POLB
Hydrochloric Acid SCHEMBL7680655 0.87 POLB (0.38) KDM4EPOLBALDH1A1
SCHEMBL9030136 0.86 RAB9A (0.39) ITGB3ITGA2BACHEMEN1NPC1
Hydrochloric Acid SCHEMBL7678406 0.86 MAPT (0.38) ACHEPOLBRAB9AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7680965 0.86 EGFR (0.41) ITGB3ITGA2BKDM4EACHENPC1
Hydrochloric Acid SCHEMBL9029951 0.85 RAB9A (0.39) ITGB3ITGA2BACHEMEN1NPC1
Hydrochloric Acid SCHEMBL9032372 0.85 ITGB3 (0.37) ITGB3ITGA2BMEN1NPC1POLB

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-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP claimed
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed