SCHEMBL19254523

SCHEMBL19254523

CCCNC(=O)O[C@@H](C)Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
RAB9A P51151 1/20 0.42
CTSK P43235 2/20 0.40

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
SCHEMBL23347700 0.84 CTSK (0.40) SMN1; SMN2ALDH1A1ITGB1ITGA4ITGB7
SCHEMBL18567615 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1ALDH1A1HTTRAB9A
SCHEMBL11429806 0.81 CTSK (0.56) NPC1ALDH1A1ITGB1ITGA4ITGB7
SCHEMBL23347648 0.77 NPC1 (0.44) SMN1; SMN2NPC1ALDH1A1SLC6A2SLC6A4
SCHEMBL19254234 0.77 NPC1 (0.44) SMN1; SMN2NPC1ALDH1A1SLC6A2SLC6A4
SCHEMBL14477678 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTITGB1ITGA4
SCHEMBL14477676 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTITGB1ITGA4
SCHEMBL14478371 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NPC1HTTITGB1ITGA4
SCHEMBL14478459 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NPC1HTTITGB1ITGA4
SCHEMBL14477677 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTITGB1ITGA4

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-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed