SCHEMBL299090

SCHEMBL299090

O=C(OCCS)N1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 2/20 0.56
NOTUM Q6P988 6/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL9526349 0.85 NPC1 (0.66) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL27882103 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL2116912 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL29554766 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL5797625 0.83 RAB9A (0.63) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL3662555 0.81 NPC1 (0.60) NPC1RAB9AL3MBTL1TSHRNOTUM
Hydrochloric Acid SCHEMBL7423344 0.80 NPC1 (0.59) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL7469639 0.79 NPC1 (1.00) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL30681385 0.79 RAB9A (0.66) NPC1RAB9AL3MBTL1TSHRNOTUM
SCHEMBL30659283 0.79 NPC1 (1.00) NPC1RAB9AL3MBTL1TSHRNOTUM

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-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed