SCHEMBL26933905

SCHEMBL26933905

O=C(O)N1CCC(NC(=O)N2CCN(Cc3ccc(F)cc3)c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.50
▸ BRD4 O60885 1/20 0.48
▸ MCHR1 Q99705 3/20 0.47
▸ SLC6A12 P48065 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ CCR3 P51677 3/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ PRKAA2 P54646 2/20 0.44
▸ PRKAB2 O43741 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAG3 Q9UGI9 1/20 0.44
▸ PRKAG2 Q9UGJ0 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL26933764 0.86 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL26933774 0.86 BRD4 (0.54) SIGMAR1BRD4MCHR1HSD11B1DPP7
SCHEMBL26933769 0.86 BRD4 (0.54) SIGMAR1BRD4MCHR1HSD11B1DPP7
SCHEMBL30673880 0.86 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL26933900 0.86 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL31506844 0.86 HDAC1 (0.56) SIGMAR1BRD4HSD11B1KDM4EALDH1A1
SCHEMBL30673791 0.85 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL30673780 0.83 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL26933896 0.83 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97
SCHEMBL26933903 0.83 BRD4 (0.46) SIGMAR1BRD4MCHR1SLC6A12TMEM97

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
WO-2023239227-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 사피엔스바이오 2023-12-14 — — WO disclosed
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