SCHEMBL20122609

SCHEMBL20122609

CN1CCN(C(=O)OCc2ccccc2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TMEM97 Q5BJF2 6/20 0.53
SIGMAR1 Q99720 6/20 0.53
HTR2C P28335 2/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
HRH2 P25021 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR1E P28566 1/20 0.53
SLC6A4 P31645 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52

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
SCHEMBL29235094 0.86 NPC1 (0.61) NPC1RAB9AL3MBTL1HTR2CSMN1; SMN2
SCHEMBL25697440 0.84 NPC1 (0.51) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL2539997 0.82 NPC1 (0.67) NPC1RAB9AL3MBTL1HTR2CSMN1; SMN2
SCHEMBL16425133 0.81 NPC1 (0.55) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL29218649 0.80 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL520065 0.79 NPC1 (0.59) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL17736 0.79 MEN1 (0.49) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL2851491 0.79 SMN1; SMN2 (0.57) NPC1RAB9ATMEM97SIGMAR1HTR2C
SCHEMBL24673292 0.79 MEN1 (0.66) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL2607031 0.79 MEN1 (0.66) NPC1RAB9AL3MBTL1TMEM97SIGMAR1

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-3186232-B1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2019-03-27 EP disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed