SCHEMBL9505304

SCHEMBL9505304

CCC[C@H]1CC[C@H](COC(=O)C(C(=S)NC)c2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
CNR1 P21554 3/20 0.40
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGIR P43119 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
NOS2 P35228 1/20 0.34

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 SCHEMBL9503607 0.99 CNR2 (0.42) CNR2CNR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL10519309 0.99 CNR2 (0.42) CNR2CNR1MEN1GAAKMT2A
SCHEMBL9506573 0.94 CNR2 (0.39) CNR2CNR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL9503374 0.93 CNR2 (0.41) CNR2CNR1MEN1GAAKMT2A
SCHEMBL9503240 0.93 CNR2 (0.39) CNR2CNR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL9503367 0.93 CNR2 (0.41) CNR2CNR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL9503428 0.92 CNR2 (0.40) CNR2CNR1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL9505496 0.92 CNR2 (0.40) CNR2CNR1MEN1GAAKMT2A
SCHEMBL9503493 0.89 CNR2 (0.39) CNR2CNR1MEN1GAAKMT2A
SCHEMBL9505291 0.88 HPGD (0.40) CNR2CNR1MEN1GAAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP claimed