SCHEMBL7686984

SCHEMBL7686984

CC(=O)OC(C)OC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)C(=O)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ACHE P22303 7/20 0.33
HRH3 Q9Y5N1 3/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL7680235 0.93 ACHE (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7680002 0.93 RAB9A (0.34) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
Hydrochloric Acid SCHEMBL7678493 0.92 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7676252 0.90 ACHE (0.35) ACHEHRH3CHRM2CHRM1GPR119
SCHEMBL7684482 0.90 GPR119 (0.37) MAPTSMN1; SMN2ALDH1A1ACHEHRH3
SCHEMBL7676259 0.89 GAA (0.37) MAPTALDH1A1ACHEHRH3CHRM2
SCHEMBL7684757 0.88 ACHE (0.37) MAPTSMN1; SMN2ALDH1A1ACHEHRH3
SCHEMBL7680937 0.88 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
Hydrochloric Acid SCHEMBL7687046 0.87 RAB9A (0.37) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7682722 0.87 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472397-B1 Nitrogen-containing heterocyclic compounds having antiplatelet aggregation effect and medicinal use thereof MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-29 US disclosed
EP-1070712-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING ANTIPLATELET AGGREGATION EFFECT AND MEDICINAL USE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2001-01-24 EP disclosed