SCHEMBL28502803

SCHEMBL28502803

CCCCCCCCCCC1C(=O)N(C)CCN1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
GBA1 P04062 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
ALOX5 P09917 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
PRKCD Q05655 4/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 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
SCHEMBL28904255 0.80 HSD17B10 (0.35) CYP1A2GBA1ALOX5CHRNB2CHRNA7
SCHEMBL12045186 0.77 FGFR1 (0.34)
SCHEMBL28490609 0.77 GRM2 (0.47) CYP1A2PRKCDPTGS1ALDH1A1
SCHEMBL11007811 0.77 BRD4 (0.42)
SCHEMBL11010822 0.77 TSHR (0.31)
SCHEMBL7887401 0.75 PTGS1 (0.42) CYP1A2GBA1PRKCDPTGS1PTGS2
SCHEMBL31026188 0.74 CYP1A2 (0.41) CYP1A2GBA1S1PR1S1PR3S1PR5
SCHEMBL8333332 0.74 CYP1A2 (0.41) CYP1A2GBA1S1PR1S1PR3S1PR5
SCHEMBL21596445 0.74 CYP1A2 (0.41) CYP1A2GBA1S1PR1S1PR3S1PR5
SCHEMBL4486955 0.74 CYP1A2 (0.41) CYP1A2GBA1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN claimed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN claimed
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN disclosed