SCHEMBL18436129

SCHEMBL18436129

CC1O[C@@H](C)CN(C2CCNCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
PLAT P00750 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
PLG P00747 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
FPR2 P25090 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17128132 1.00 TP53 (0.34) TP53PLATHTR2CHTR2BPLG
SCHEMBL21336576 0.85 TP53 (0.35) TP53HTR2CHTR2B
SCHEMBL18436086 0.81 CHRM2 (0.35) TP53PLGMAPTKMT2AALDH1A1
SCHEMBL18436832 0.81 CHRM2 (0.35) TP53PLGMAPTKMT2AALDH1A1
SCHEMBL19012448 0.78 KDM4E (0.30) TP53KMT2AALDH1A1
SCHEMBL19001146 0.78 KDM4E (0.30) TP53KMT2AALDH1A1
SCHEMBL3074193 0.77 NPY5R (0.37) TP53HTR2CPLGMAPTKMT2A
SCHEMBL3780308 0.77 NPY5R (0.37) TP53HTR2CPLGMAPTKMT2A
SCHEMBL3069122 0.77 NPY5R (0.37) TP53HTR2CPLGMAPTKMT2A
SCHEMBL23336239 0.74 TP53 (0.35) TP53FPR2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed