SCHEMBL29154161

SCHEMBL29154161

O=C(O)C1(Nc2c[nH]nn2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LATS1 O95835 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
FAAH O00519 3/20 0.31
TRPV1 Q8NER1 2/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR132 Q9UNW8 1/20 0.30

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
SCHEMBL28627447 0.72
SCHEMBL5323068 0.70 AKR1C1 (0.43)
SCHEMBL29154166 0.70 CYP1A2 (0.43) CYP1A2USP2HTTSMN1; SMN2FAAH
SCHEMBL28742419 0.69
SCHEMBL28570057 0.67 MAP4K4 (0.35)
SCHEMBL170056 0.66
SCHEMBL3954627 0.66 CYP1A2 (0.61) CYP1A2FAAHTRPV1CTSKALDH1A1
Bromide SCHEMBL29221905 0.65
SCHEMBL15414898 0.65 CYP1A2 (0.41) CYP1A2LATS1USP2HTTSMN1; SMN2
SCHEMBL28571813 0.64 HPGD (0.36) HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989220-A Amido cyclohexanoic acid derivatives as LPA receptor inhibitors 奇斯药制品公司 2023-04-18 CN disclosed