SCHEMBL31744293

SCHEMBL31744293

NC1CCN(C(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.46
▸ KDM1A O60341 2/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PRMT3 O60678 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ EPAS1 Q99814 2/20 0.38

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
SCHEMBL31037490 0.91 NAMPT (0.39) NAMPTKDM1AROCK2ROCK1ALDH1A1
SCHEMBL31037295 0.87 NAMPT (0.42) NAMPTROCK2ROCK1HIF1AEPAS1
SCHEMBL31037260 0.87 NAMPT (0.43) NAMPTROCK2ALDH1A1
SCHEMBL31037269 0.86 ROCK2 (0.46) NAMPTROCK2ROCK1PRMT3
SCHEMBL31037264 0.84 NAMPT (0.43) NAMPTKDM1AROCK2HIF1AEPAS1
SCHEMBL31037281 0.84 ROCK2 (0.48) NAMPTROCK2ROCK1PRMT3
SCHEMBL31037266 0.83 NAMPT (0.46) NAMPTPRMT3HIF1AEPAS1
SCHEMBL31037302 0.82 NAMPT (0.51) NAMPTROCK2ROCK1PRMT3
SCHEMBL31037243 0.82 ROCK2 (0.43) NAMPTROCK2ROCK1PRMT3HIF1A
SCHEMBL31037447 0.82 ROCK2 (0.49) NAMPTROCK2ROCK1ALDH1A1PRMT3

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
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