SCHEMBL17089966

SCHEMBL17089966

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc3ocnc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM5 Q9NZQ8 1/20 0.40
▸ CNR2 P34972 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MET P08581 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ NPY5R Q15761 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALDH3A1 P30838 1/20 0.33

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
SCHEMBL11934893 1.00 TRPM5 (0.40) TRPM5CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL11936277 0.92 LMNA (0.40) CNR2NPC1RAB9ASMN1; SMN2MET
SCHEMBL11935138 0.85 TRPM5 (0.40) TRPM5CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL17090388 0.85 TRPM5 (0.40) TRPM5CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13565452 0.81 DRD2 (0.39) CNR2METDRD2HTR2ADRD3
SCHEMBL17090004 0.81 DRD2 (0.39) CNR2METDRD2HTR2ADRD3
SCHEMBL10113354 0.80 NPY5R (0.52) NPC1RAB9ASMN1; SMN2NPY5RALDH1A1
SCHEMBL13203873 0.80 NPY5R (0.52) NPC1RAB9ASMN1; SMN2NPY5RALDH1A1
SCHEMBL17090126 0.79 ALDH1A1 (0.42) TRPM5CNR2SMN1; SMN2METDRD2
SCHEMBL13565133 0.79 ALDH1A1 (0.42) TRPM5CNR2SMN1; SMN2METDRD2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
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