SCHEMBL7680002

SCHEMBL7680002

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.33
ACHE P22303 7/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL7678493 0.99 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL7680625 0.94 ACHE (0.34) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7686984 0.93 RAB9A (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL7682220 0.90 GPR119 (0.36) MAPTSMN1; SMN2ALDH1A1TP53ACHE
Hydrochloric Acid SCHEMBL7677797 0.90 GPR119 (0.36) MAPTSMN1; SMN2ACHEHRH3CHRM2
SCHEMBL7680097 0.89 CYP2D6 (0.36) MAPTALDH1A1ACHEHRH3CHRM2
SCHEMBL7680937 0.87 RAB9A (0.36) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7680235 0.86 ACHE (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
Hydrochloric Acid SCHEMBL7687046 0.86 RAB9A (0.37) RAB9AMAPTSMN1; SMN2ALDH1A1ACHE
SCHEMBL7682722 0.86 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