SCHEMBL31014023

SCHEMBL31014023

CN1CCC(Oc2cc3c(c(N[C@@H]4CCOC4)c2)CN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GPR119 Q8TDV5 5/20 0.39
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NAMPT P43490 4/20 0.35
▸ INSR P06213 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35

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
SCHEMBL31014014 1.00 HRH3 (0.40) HRH3POLBGPR119PRMT5WDR77
SCHEMBL24914052 0.93 HRH3 (0.41) HRH3POLBGPR119PRMT5WDR77
SCHEMBL31013845 0.88 ALDH1A1 (0.43) ALDH1A1
SCHEMBL31013977 0.84 ESR2 (0.42) ALDH1A1NAMPTNR1H2
SCHEMBL31013913 0.84 STS (0.35) POLBGPR119ALDH1A1
SCHEMBL29168631 0.83 MTHFD1 (0.39) HRH3POLBPRMT5WDR77NAMPT
SCHEMBL31013866 0.82 ALDH1A1 (0.43) HRH3ALDH1A1NR1H2
SCHEMBL31013948 0.82 MGLL (0.40) POLBGPR119ALDH1A1
SCHEMBL31014101 0.82 MGLL (0.40) POLBGPR119ALDH1A1
SCHEMBL31014020 0.81 NAMPT (0.36) GPR119ALDH1A1NAMPTNR1H2

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-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
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