SCHEMBL31037360

SCHEMBL31037360

CC(C)(C)OC(=O)NC1CCCN(CCN)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CTSK P43235 2/20 0.50
BTK Q06187 2/20 0.47
MAP4K4 O95819 2/20 0.44
CYP2C9 P11712 1/20 0.43
HSD11B1 P28845 1/20 0.43
JAK3 P52333 1/20 0.42
EPHX1 P07099 2/20 0.42
DRD2 P14416 3/20 0.42
KCNA3 P22001 1/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1H O95180 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
DPP4 P27487 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
SCHEMBL31037283 0.92 CTSK (0.56) CA1CA2CTSKBTKCYP2C9
SCHEMBL20689471 0.90 CA1 (0.55) CA1CA2CTSKBTKMAP4K4
SCHEMBL13547360 0.90 KCNA3 (0.52) CA1CA2CTSKBTKCYP2C9
SCHEMBL20697344 0.90 CA1 (0.55) CA1CA2CTSKBTKMAP4K4
SCHEMBL20377503 0.88 CA1 (0.56) CA1CA2CTSKBTKMAP4K4
SCHEMBL21733136 0.88 CA1 (0.56) CA1CA2CTSKBTKMAP4K4
SCHEMBL28673367 0.88 CA1 (0.56) CA1CA2CTSKBTKMAP4K4
SCHEMBL29255478 0.88 CA1 (0.56) CA1CA2CTSKBTKMAP4K4
SCHEMBL30850648 0.87 CA1 (0.55) CA1CA2CTSKBTKMAP4K4
SCHEMBL31420976 0.86 CTSK (0.47) CA1CA2CTSKBTKCYP2C9

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 WO disclosed