SCHEMBL8308935

SCHEMBL8308935

N#CC1CCN(c2nc3ccc(N)cc3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
SMN1; SMN2 Q16637 10/20 0.62
MAPT P10636 5/20 0.62
GAA P10253 1/20 0.62
TP53 P04637 4/20 0.46
MITF O75030 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CRBN Q96SW2 1/20 0.46
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
AR P10275 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL21588478 0.84 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL8304492 0.82 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL334023 0.81 PPARG (0.47) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL19326470 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21638217 0.80 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL3469017 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL23965745 0.78 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL14403380 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL8233692 0.77 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL31349392 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609441-B1 Oxazolidone derivatives as monoamine oxidase inhibitors EISAI CO LTD (JP) 1999-07-21 EP disclosed
US-5475014-A Monoamine oxidase inhibor; antidepressant EISAI CO., LTD. (JP) 1995-12-12 US disclosed
EP-0609441-A1 OXAZOLIDONE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP disclosed