SCHEMBL7687003

SCHEMBL7687003

CCCCC(C)OC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC)C(c4oc(=O)oc4C)C3)CC2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 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
SCHEMBL7837763 0.90 HRH2 (0.34)
SCHEMBL7684789 0.87 HRH3 (0.31)
SCHEMBL7686906 0.85 RAB9A (0.34) SMN1; SMN2
SCHEMBL7687002 0.82 KDM4E (0.33) SMN1; SMN2
Hydrochloric Acid SCHEMBL7677602 0.78 HRH2 (0.36) SMN1; SMN2
SCHEMBL7687315 0.77 HRH2 (0.36) SMN1; SMN2
SCHEMBL7686287 0.72 CYP2D6 (0.38) SMN1; SMN2
SCHEMBL7680139 0.70 HRH2 (0.42) SMN1; SMN2
SCHEMBL9031736 0.70 USP2 (0.35) SMN1; SMN2
SCHEMBL7686284 0.70 THRB (0.34) SMN1; SMN2

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