SCHEMBL7686906

SCHEMBL7686906

COC(=O)N1CCC(N2CCN(CC(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)C(=O)C2)CC1c1oc(=O)oc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7684789 0.90 HRH3 (0.31) HRH3
SCHEMBL7837763 0.88 HRH2 (0.34) MAPTALDH1A1HRH3
SCHEMBL7687003 0.85 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL7686904 0.81 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL7680977 0.75 MAPT (0.40) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7682722 0.75 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7680937 0.75 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL7687046 0.74 RAB9A (0.37) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7686984 0.74 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL7680117 0.74 HRH3 (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