SCHEMBL30801018

SCHEMBL30801018

c1ncc(C2CC2)cc1NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GSK3B P49841 1/20 0.40
SYK P43405 1/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
ACKR3 P25106 1/20 0.34
CYP11B2 P19099 1/20 0.33
KCNH2 Q12809 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32

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
SCHEMBL3515522 0.76 ALDH1A1 (0.41) MAPTPDGFRBPDGFRAKDM4EMEN1
SCHEMBL27796045 0.76 KDM4E (0.43) MAPTGSK3BSYKKDM4EALDH1A1
SCHEMBL23684063 0.71 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1KMT2AHCAR3
SCHEMBL18980782 0.70 MAPT (0.47) MAPTGSK3BSYKACKR3DHODH
SCHEMBL30472838 0.69 CYP11B2 (0.59) MAPTPDGFRBPDGFRAKDM4EKMT2A
SCHEMBL23562825 0.69 PIK3CB (0.49) MAPTGSK3BCYP11B2
SCHEMBL11169098 0.69 EPHX1 (0.49) MAPTGSK3BKDM4EMEN1APAF1
SCHEMBL22574279 0.68 SMYD3 (0.43) KDM4EMEN1ALDH1A1KMT2AROCK2
SCHEMBL19984693 0.68 PDGFRB (0.40) MAPTPDGFRBPDGFRAKDM4EMEN1
SCHEMBL27937316 0.68 ALDH1A1 (0.56) KDM4EMEN1ALDH1A1KMT2AHCAR3

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-117865941-A Substituted piperidine compounds, process for their preparation and their use 上海方予健康医药科技有限公司 2024-04-12 CN disclosed