SCHEMBL7680487

SCHEMBL7680487

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 5/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL7680937 0.92 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL7687046 0.91 RAB9A (0.37) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7680117 0.90 HRH3 (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7681879 0.89 CYP2D6 (0.38) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
Hydrochloric Acid SCHEMBL7684461 0.89 CYP2D6 (0.38) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
SCHEMBL7680314 0.89 ACHE (0.37) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
SCHEMBL7680673 0.88 GPR119 (0.35) MAPTALDH1A1HRH3CYP2D6ACHE
SCHEMBL7682722 0.88 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7684527 0.87 ACHE (0.33) MAPTSMN1; SMN2ALDH1A1HRH3CYP2D6
SCHEMBL7686984 0.83 RAB9A (0.35) 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