SCHEMBL31662998

SCHEMBL31662998

CC(=O)c1c(C)ccnc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR5 P51681 6/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
THRB P10828 1/20 0.37
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
P2RX7 Q99572 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6628045 1.00 CSNK1A1 (0.38) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL353204 0.83 KDM4E (0.40) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL4249059 0.81 KDM4E (0.39) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
SCHEMBL31606794 0.81 SIRT3 (0.46) CCR5CCR1CCR8NOS3NOS2
SCHEMBL161321 0.81 SIRT3 (0.46) CCR5CCR1CCR8NOS3NOS2
SCHEMBL9504653 0.81 KDM4E (0.39) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
SCHEMBL411769 0.81 ITGB1 (0.36) ALDH1A1CCR5CCR1CCR8NOS3
SCHEMBL17692459 0.79 SMN1; SMN2 (0.37) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
Hydrochloric Acid SCHEMBL3283632 0.79 ITGB1 (0.36) ALDH1A1CCR5CCR1CCR8NOS3
Hydrochloric Acid SCHEMBL5012204 0.79 NTRK1 (0.44) CCR5CCR1CCR8NOS3NOS2

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-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed