SCHEMBL22556898

SCHEMBL22556898

Cc1c(C=C2CCN(C(=O)O)CC2)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SRD5A2 P31213 4/20 0.38
CASP3 P42574 1/20 0.38
USP14 P54578 1/20 0.38
UCHL5 Q9Y5K5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR174 Q9BXC1 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TTR P02766 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL22556833 0.87 MAPT (0.48) MAPTSRD5A2CASP3USP14UCHL5
SCHEMBL28465448 0.85 MAPT (0.45) MAPTALDH1A1SMN1; SMN2GPR174MEN1
SCHEMBL1865742 0.85 SRD5A2 (0.41) MAPTSRD5A2CASP3USP14UCHL5
SCHEMBL22556698 0.83 GPR174 (0.39) MAPTSRD5A2CASP3USP14UCHL5
SCHEMBL1872138 0.81 CASP3 (0.39) MAPTSRD5A2CASP3USP14UCHL5
SCHEMBL22556714 0.81 TSHR (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22556721 0.81 SRD5A2 (0.40) SRD5A2MEN1KMT2A
SCHEMBL22579361 0.79 HTR2C (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL22556822 0.78 HTR2C (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1863164 0.78 CASP3 (0.47) MAPTSRD5A2CASP3USP14UCHL5

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
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed