SCHEMBL25732834

SCHEMBL25732834

COc1ccc(C(=O)N2CCN(CCC3CCCCC3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KDM4E B2RXH2 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL31178357 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL31178364 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL25240734 0.87 NPSR1 (0.61) KMT2AALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL25732839 0.85 DRD3 (0.64) POLBDRD3GAAHPGD
SCHEMBL9671229 0.81 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL18753660 0.79 HTR4 (0.50) KMT2AALDH1A1POLBCYP2C19HPGD
SCHEMBL29944081 0.79 HPGD (0.76) KMT2AALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL25238971 0.78 HPGD (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2DRD3
SCHEMBL25239794 0.78 CHRM3 (0.64) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL16134867 0.77 POLB (0.70) KMT2AALDH1A1POLBCYP2C19KDM4E

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-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 — — WO disclosed
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