SCHEMBL29171356

SCHEMBL29171356

COc1ccc2[nH]c3c(c2c1)CN(C(=O)O)CC3

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 6/20 0.82
▸ KDR P35968 2/20 0.71
▸ CFTR P13569 9/20 0.69
▸ USP2 O75604 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ ACHE P22303 1/20 0.64
▸ LMNA P02545 1/20 0.57
▸ PABPC1 P11940 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL5372790 0.90 BAZ2B (0.67) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL28465408 0.90 BAZ2B (0.67) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL28464447 0.87 BAZ2B (0.64) BAZ2BKDRCFTRALOX15HSD17B10
SCHEMBL17447456 0.86 BAZ2B (0.76) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL12868564 0.86 LMNA (0.78) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL30228575 0.85 BAZ2B (0.74) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL21162488 0.85 BAZ2B (0.74) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL3087738 0.85 BAZ2B (0.70) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL14398035 0.85 BAZ2B (0.60) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL3424575 0.84 BAZ2B (0.81) BAZ2BCFTRUSP2ACHELMNA

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-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 — — CN disclosed
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