SCHEMBL7680937

SCHEMBL7680937

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CYP2D6 P10635 1/20 0.34
ACHE P22303 5/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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 SCHEMBL7687046 0.99 RAB9A (0.37) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7680117 0.92 HRH3 (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7680487 0.92 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7682722 0.90 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7676228 0.89 CYP2D6 (0.40) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
SCHEMBL7684487 0.88 ACHE (0.38) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
SCHEMBL7686984 0.88 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7687105 0.88 HRH3 (0.35) MAPTALDH1A1HRH3CYP2D6ACHE
Hydrochloric Acid SCHEMBL7687054 0.87 HRH3 (0.35) MAPTALDH1A1HRH3CYP2D6ACHE
SCHEMBL7680002 0.87 RAB9A (0.34) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3

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