SCHEMBL28490609

SCHEMBL28490609

CCCCCCCCCCC1C(=O)N(C)CCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.47
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
PTGS1 P23219 1/20 0.40
RAB9A P51151 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PRKCD Q05655 4/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28491359 0.83 HTR7 (0.39) ALDH1A1MAPTPRKCDCNR2HSD17B10
SCHEMBL14465466 0.77 GRM2 (0.48) GRM2ALDH1A1MAPTCYP1A2MAPK1
SCHEMBL28502803 0.77 CYP1A2 (0.37) ALDH1A1CYP1A2PTGS1PRKCD
SCHEMBL28904255 0.71 HSD17B10 (0.35) GRM2ALDH1A1MAPTCYP1A2TP53
SCHEMBL29489697 0.70 ALDH1A1 (0.73) GRM2ALDH1A1CYP3A4LMNAMAPT
SCHEMBL28169249 0.69 CHRNB2 (0.46) GRM2KCNH2
SCHEMBL28905045 0.68 GRM2 (0.45) GRM2CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL7887401 0.68 PTGS1 (0.42) ALDH1A1CYP1A2TP53PTGS1PRKCD
SCHEMBL28492510 0.67 DRD4 (0.49) CNR2CNR1
Hydrochloric Acid SCHEMBL28741371 0.67 GRM2 (0.44) GRM2CYP1A2CYP2C9CYP2C19CNR2

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