SCHEMBL31744280

SCHEMBL31744280

CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(C#Cc3cc(NC(=O)Oc4ccccc4)ccc3-c3ccncc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.46
▸ CD274 Q9NZQ7 1/20 0.45
▸ ACKR3 P25106 2/20 0.44
▸ NAMPT P43490 2/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ MCHR2 Q969V1 1/20 0.38
▸ MCHR1 Q99705 1/20 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
SCHEMBL31037307 0.88 NAMPT (0.47) NAMPTKDRFLT3MCHR2MCHR1
SCHEMBL31037368 0.84 MAPK14 (0.47) MAPK14CD274ACKR3NAMPTDRD2
SCHEMBL31037288 0.84 MAPK14 (0.42) MAPK14CD274ACKR3NAMPTTGFBR1
SCHEMBL31037472 0.83 NAMPT (0.47) NAMPT
SCHEMBL31037240 0.82 ACKR3 (0.43) MAPK14CD274ACKR3NAMPTHTR1A
SCHEMBL31037461 0.79 MAPK14 (0.43) MAPK14CD274ACKR3NAMPTHTR1A
SCHEMBL31037340 0.77 NAMPT (0.39) MAPK14CD274NAMPT
SCHEMBL31037276 0.77 CD274 (0.41) CD274NAMPTDRD2DRD4DRD3
SCHEMBL31037287 0.73 NAMPT (0.45) NAMPT
SCHEMBL31037250 0.73 KDR (0.46) NAMPTDRD2DRD4DRD3KDR

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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