SCHEMBL7081699

SCHEMBL7081699

CCOC(=O)C1CCC[N+](Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)OC(C)(C)C)(C2CCNCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.38
KCNH2 Q12809 2/20 0.38
USP2 O75604 1/20 0.38
TACR2 P21452 2/20 0.37
OPRM1 P35372 2/20 0.37
KDM4E B2RXH2 6/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLAT P00750 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2372430 0.78 TACR3 (0.50) TACR3KCNH2TACR2OPRM1KDM4E
SCHEMBL6951612 0.74 TACR3 (0.47) TACR3KCNH2TACR2OPRM1LMNA
Hydrochloric Acid SCHEMBL7077944 0.74 TACR3 (0.47) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL5945361 0.73 TACR3 (0.56) TACR3KCNH2TACR2OPRM1
SCHEMBL2372651 0.71 TRPV4 (0.46) TACR3KCNH2TACR2OPRM1KDM4E
SCHEMBL2373237 0.71 TRPV4 (0.49) TACR3KCNH2TACR2OPRM1
SCHEMBL7080701 0.70 LMNA (0.50) TACR3KCNH2TACR2OPRM1KDM4E
SCHEMBL7076527 0.70 TACR3 (0.54) TACR3KCNH2TACR2OPRM1MAPK1
SCHEMBL6582324 0.69 DHODH (0.42) TACR3KCNH2TACR2OPRM1ALDH1A1
SCHEMBL6586109 0.69 TRPV4 (0.43) TACR3KCNH2TACR2OPRM1LMNA

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
EP-1339691-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2003-09-03 EP disclosed
WO-2002044154-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed