SCHEMBL31037368

SCHEMBL31037368

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.47
▸ ACKR3 P25106 2/20 0.44
▸ NAMPT P43490 1/20 0.42
▸ CD274 Q9NZQ7 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ TGFBR1 P36897 1/20 0.39
▸ TGFBR2 P37173 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL31037461 0.93 MAPK14 (0.43) MAPK14ACKR3NAMPTCD274HTR1A
SCHEMBL31037240 0.88 ACKR3 (0.43) MAPK14ACKR3NAMPTCD274HTR1A
SCHEMBL31037355 0.85 NAMPT (0.48) NAMPTCD274
SCHEMBL31744280 0.84 MAPK14 (0.46) MAPK14ACKR3NAMPTCD274HTR1A
SCHEMBL31037288 0.82 MAPK14 (0.42) MAPK14ACKR3NAMPTCD274TGFBR1
SCHEMBL31037312 0.79 GPR119 (0.45) NAMPT
SCHEMBL31037305 0.75 DRD2 (0.58) MAPK14ACKR3CD274DRD2DRD4
SCHEMBL4324960 0.73 CD274 (0.58) MAPK14ACKR3CD274HTR1ADRD2
SCHEMBL31037320 0.73 MAPT (0.47) NAMPT
SCHEMBL8404689 0.72 ACKR3 (0.56) MAPK14ACKR3CD274

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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