SCHEMBL8809497

SCHEMBL8809497

CN(c1cc(-c2ccccc2)on1)C1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ S1PR1 P21453 4/20 0.56
▸ S1PR3 Q99500 2/20 0.56
▸ UCHL1 P09936 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ SLC6A9 P48067 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ JAK3 P52333 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ GBA1 P04062 3/20 0.42
▸ FAAH O00519 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LCK P06239 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL8809239 0.73 NPC1 (0.46) RAB9ANPC1S1PR1S1PR3ALDH1A1
SCHEMBL28663908 0.71 RAB9A (0.53) RAB9ANPC1S1PR1S1PR3ALDH1A1
SCHEMBL9057588 0.68 NPC1 (0.41) RAB9ANPC1S1PR1S1PR3ALDH1A1
SCHEMBL14139451 0.67 LCK (0.58) NPC1ALDH1A1SMN1; SMN2L3MBTL1JAK3
SCHEMBL19227318 0.67 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2JAK3
SCHEMBL20733138 0.67 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2JAK3
SCHEMBL19227252 0.67 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2JAK3
SCHEMBL20733110 0.67 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2JAK3
SCHEMBL182620 0.67 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2JAK3
SCHEMBL20031353 0.66 NOTUM (0.62) RAB9ANPC1USP30SLC6A9ALDH1A1

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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