SCHEMBL30177533

SCHEMBL30177533

COCOc1cccc(CCN)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.69
MAOB P27338 4/20 0.54
ACHE P22303 3/20 0.51
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
AOC3 Q16853 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 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
SCHEMBL6489910 0.86 MAOB (0.54) TAAR1MAOB
SCHEMBL26985792 0.85 TAAR1 (0.67) TAAR1MAOBACHEKDM4E
SCHEMBL465063 0.84 TAAR1 (0.47) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL27655773 0.84 TAAR1 (0.47) TAAR1MAOBDRD2AOC3CHRM2
SCHEMBL146849 0.82 TAAR1 (0.68) TAAR1MAOBACHEDRD2DRD1
SCHEMBL30820845 0.82 TAAR1 (0.68) TAAR1MAOBACHEDRD2DRD1
SCHEMBL42400 0.82 TAAR1 (1.00) TAAR1MAOBACHEAOC3CHRM2
SCHEMBL1445872 0.81 PPARA (0.55) TAAR1CHRM2CHRM1CHRM3KDM4E
Hydrochloric Acid SCHEMBL21810796 0.81 TAAR1 (0.66) TAAR1MAOBACHEDRD2DRD1
Hydrochloric Acid SCHEMBL10917318 0.80 TAAR1 (0.96) TAAR1MAOBACHEAOC3CHRM2

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
CN-115583942-A 2-substituted 5-phenyl-oxazole derivative, preparation method thereof and application thereof as MNK (MNK) inhibitor 中国海洋大学 2023-01-10 CN disclosed