SCHEMBL29907964

SCHEMBL29907964

COC(=O)c1c(C)noc1-c1ccc(Br)c(C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGS1 P23219 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL25340410 1.00 HTT (0.59) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL22467593 0.86 HTT (0.43) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL29645214 0.86 HTT (0.43) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL29908110 0.85 HTT (0.60) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL29645215 0.85 POLB (0.41) HTTPOLBALDH1A1PKMKDM4E
SCHEMBL21107996 0.85 POLB (0.41) HTTPOLBALDH1A1PKMKDM4E
SCHEMBL30424797 0.84 HTT (0.59) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL25340797 0.84 HTT (0.59) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL22504196 0.82 ALDH1A1 (0.49) HTTKCNH2HRH3POLBALDH1A1
SCHEMBL25955159 0.82 HTT (0.56) HTTKCNH2HRH3POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 EP disclosed
WO-2023118253-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 WO disclosed
EP-4182301-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-115989220-A Amido cyclohexanoic acid derivatives as LPA receptor inhibitors 奇斯药制品公司 2023-04-18 CN disclosed
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 WO disclosed