SCHEMBL31184732

SCHEMBL31184732

COc1cc(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 15/20 0.49
▸ RAMP1 O60894 12/20 0.49
▸ MAPT P10636 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CALCA P06881 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31184791 0.86 ACHE (0.44) MAPTCHRM4
SCHEMBL31184628 0.83 CHRM4 (0.42) MAPTCHRM4NAMPT
SCHEMBL11127305 0.76 ALDH1A1 (0.55) CALCRLRAMP1L3MBTL1
SCHEMBL22869715 0.76 HSD11B1 (0.73) CHRM4
SCHEMBL30231295 0.75 CALCRL (0.58) CALCRLRAMP1CHRM4CALCA
SCHEMBL31184754 0.75 MAPT (0.47) MAPTL3MBTL1
SCHEMBL31184406 0.74 POLB (0.43) MAPT
SCHEMBL31184884 0.74 POLB (0.43) —
SCHEMBL31184899 0.74 MALT1 (0.45) L3MBTL1
SCHEMBL22869654 0.73 HSD11B1 (0.66) CALCRLL3MBTL1

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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