SCHEMBL31037313

SCHEMBL31037313

CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.40
▸ NAMPT P43490 6/20 0.39
▸ CD274 Q9NZQ7 1/20 0.38
▸ HRH2 P25021 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ HIF1A Q16665 3/20 0.36
▸ EPAS1 Q99814 3/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ CHRM4 P08173 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
SCHEMBL31037245 0.97 NAMPT (0.39) NPY5RNAMPTCD274HIF1AEPAS1
SCHEMBL31037260 0.88 NAMPT (0.43) NPY5RNAMPTROCK2
SCHEMBL31037282 0.88 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037295 0.87 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2CHRM4
SCHEMBL31037270 0.87 NAMPT (0.36) NPY5RNAMPTCD274HIF1AEPAS1
SCHEMBL31037288 0.87 MAPK14 (0.42) NAMPTCD274HIF1AEPAS1
SCHEMBL31744279 0.86 KEAP1 (0.44) NAMPTHIF1AEPAS1SLC6A5ROCK2
SCHEMBL31037278 0.85 NAMPT (0.40) NPY5RNAMPTCD274HIF1AEPAS1
SCHEMBL31037264 0.85 NAMPT (0.43) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037481 0.84 NAMPT (0.53) NAMPTHIF1AEPAS1

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
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