SCHEMBL8809239

SCHEMBL8809239

CN(c1ccc(-c2ccccc2)o1)C1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GBA1 P04062 4/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 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
SCHEMBL8809497 0.73 RAB9A (0.61) NPC1RAB9AS1PR1S1PR3ALDH1A1
SCHEMBL11465189 0.73 NPC1 (0.42) NPC1RAB9AS1PR1S1PR3ALDH1A1
SCHEMBL19227318 0.71 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL20733138 0.71 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL20733110 0.71 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL19227252 0.71 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL182620 0.71 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL11693073 0.69 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KDM4EMEN1
Methyl Alcohol SCHEMBL9678518 0.68 KDM4E (0.47) NPC1RAB9AALDH1A1KDM4EMEN1
Methylamine SCHEMBL28000435 0.68 KDM4E (0.47) NPC1RAB9AALDH1A1KDM4EMEN1

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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