SCHEMBL31663216

SCHEMBL31663216

Cn1ncc(C(=O)Cl)c1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.43
HSD11B1 P28845 2/20 0.38
PROKR1 Q8TCW9 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
TRPV4 Q9HBA0 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
SCHEMBL31662967 0.93 MGLL (0.42) MGLLHSD11B1PROKR1KEAP1NFE2L2
SCHEMBL21893929 0.85 KEAP1 (0.51) MGLLHSD11B1KEAP1NFE2L2
SCHEMBL28621366 0.84 KEAP1 (0.50) MGLLHSD11B1KEAP1NFE2L2
Potassium Ion SCHEMBL21818514 0.83 MGLL (0.42) MGLLHSD11B1PROKR1KEAP1NFE2L2
SCHEMBL16488574 0.81 KEAP1 (0.50) MGLLHSD11B1KEAP1NFE2L2
SCHEMBL3678140 0.78 NFE2L2 (0.58) MGLLKEAP1NFE2L2
SCHEMBL24656079 0.74 TSHR (0.44) MGLLHSD11B1
SCHEMBL16488573 0.74 LMNA (0.54) HSD11B1
SCHEMBL4023990 0.72 HTT (0.35) HSD11B1
SCHEMBL25528083 0.71 ALDH1A1 (0.37) MGLL

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