SCHEMBL28465448

SCHEMBL28465448

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR174 Q9BXC1 3/20 0.41
GRM5 P41594 1/20 0.40
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
MET P08581 1/20 0.39
KCNH2 Q12809 1/20 0.37
DPP4 P27487 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
F13A1 P00488 1/20 0.36

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
SCHEMBL22556778 0.88 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1869807 0.88 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL22556898 0.85 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7260647 0.85 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1870418 0.85 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL28466380 0.83 GRM5 (0.47) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7256007 0.83 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL22579417 0.83 NR1H2 (0.44) MAPTSMN1; SMN2GRM5ESR2NR1H2
SCHEMBL29716002 0.83 CASP3 (0.51) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1866955 0.83 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MEN1

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-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed