SCHEMBL20726014

SCHEMBL20726014

O=C(NOCc1ccccc1)N1CCCSC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
DPP4 P27487 6/20 0.44
DPP7 Q9UHL4 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
EPHX2 P34913 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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 SCHEMBL3545787 0.83 GPR183 (0.55) GPR183NPC1RAB9ADPP4DPP7
SCHEMBL22731079 0.75 GPR183 (0.48) GPR183NPC1RAB9ASMN1; SMN2
SCHEMBL28228555 0.71 SMN1; SMN2 (0.61) NPC1RAB9ADPP4DPP7DPP8
SCHEMBL15345175 0.70 FKBP1A (0.59) SMN1; SMN2
SCHEMBL1990363 0.68 NPC1 (0.69) NPC1RAB9AEPHX2TDP1
SCHEMBL295136 0.68 NPC1 (0.69) NPC1RAB9AEPHX2TDP1
SCHEMBL31285848 0.68 DPP4 (0.52) NPC1RAB9ADPP4DPP7SMN1; SMN2
SCHEMBL3971804 0.67 RAB9A (0.54) NPC1RAB9AEPHX2
Hydrochloric Acid SCHEMBL28989899 0.66 NPC1 (0.67) NPC1RAB9AEPHX2TDP1
SCHEMBL693305 0.66 NPC1 (0.67) NPC1RAB9AEPHX2

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-3074397-B1 A PROCESS FOR PREPARATION OF (2S, 5R)-7-OXO-N-[(2S)-PYRROLIDIN-2-YL-METHYLOXY]-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE WOCKHARDT LTD (IN) 2019-02-13 EP disclosed