SCHEMBL31185037

SCHEMBL31185037

COc1cc(NC(=O)[C@@H]2CC[C@H](N3Cc4ccccc4NC3=O)C2)ccc1C.COc1cc(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.40
▸ RAMP1 O60894 3/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CA P42336 1/20 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
SCHEMBL31184628 0.90 CHRM4 (0.42) NAMPTCHRM4CHRM1ALDH1A1CYP1A2
SCHEMBL31184791 0.85 ACHE (0.44) CHRM4CHRM1ALDH1A1CYP1A2CYP3A4
SCHEMBL31184662 0.82 POLB (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL31185020 0.82 POLB (0.47) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL28509012 0.78 POLB (0.50) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL28509010 0.78 POLB (0.50) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL31184543 0.78 POLB (0.50) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL31184666 0.76 HTT (0.39) EPHX2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184505 0.75 POLB (0.39) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL31184732 0.75 CALCRL (0.49) CALCRLRAMP1NAMPTCHRM4MAPT

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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