SCHEMBL30833476

SCHEMBL30833476

Cn1nc(C2CC2)cc1SCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.43
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CHEK2 O96017 1/20 0.37
TSHR P16473 4/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
F2RL3 Q96RI0 3/20 0.34

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
SCHEMBL30833402 0.88 PDE8B (0.40) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL30833440 0.85 GAA (0.40) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL30833501 0.84 PDE8B (0.38) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL17949132 0.81 GPR119 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL30833488 0.79 PDE8B (0.42) PDE8BKDM1AATMALOX5APFEN1
SCHEMBL5180568 0.74 KDM1A (0.48) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL30833475 0.73 PDE8B (0.39) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL30833484 0.73 PDE8B (0.39) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL29423917 0.73 PDE8B (0.45) PDE8BKDM1AALDH1A1MEN1KMT2A
SCHEMBL30833435 0.73 PDE8B (0.38) PDE8BKDM1AALDH1A1MEN1KMT2A

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
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 CN disclosed