SCHEMBL31663078

SCHEMBL31663078

C#CC1CCN(C(=O)OC(C)(C)C)CC1.C#CC1CCN(Cc2nc(C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
TP53 P04637 5/20 0.42
STS P08842 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
THRB P10828 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GBA1 P04062 1/20 0.41
NSD2 O96028 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL31662940 0.85 DPP4 (0.40) MAPTCHRM1CHRM3LMNA
SCHEMBL30958238 0.77 CHRM2 (0.52) GPR119MAPTKDM4EGAAGBA1
SCHEMBL427670 0.73 HPGD (0.58) GPR119STSMAPTKDM4ETHRB
SCHEMBL25523742 0.73 GPR119 (0.50) GPR119MAPTKDM4EPKMTHRB
SCHEMBL31663310 0.73 MAPT (0.43) MAPTLMNA
SCHEMBL13793840 0.72 KDM4E (0.58) GPR119KDM4EPKMTHRBGAA
SCHEMBL31663067 0.72 DPP4 (0.37) CHRM1CHRM3
SCHEMBL31663271 0.71 DPP4 (0.41) CHRM1CHRM3
SCHEMBL22565170 0.71 HPGD (0.47) GPR119MAPTKDM4EPKMSMN1; SMN2
SCHEMBL30735960 0.70 KDM4E (0.48) GPR119MAPTKDM4EPKMTHRB

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