SCHEMBL26683056

SCHEMBL26683056

CCCNC(=O)c1ccc(N2CCN(Cc3cc(OCC)cc(-c4cccc(O)c4)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.46
▸ LMNA P02545 1/20 0.44
▸ PRKD1 Q15139 1/20 0.44
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ DRD4 P21917 4/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL26680654 0.94 CHRM3 (0.52) CHRM3LMNAPRKD1CHRNA10CHRNA9
SCHEMBL30687630 0.90 TP53 (0.44) CHRM3LMNAPRKD1CHRNA10CHRNA9
SCHEMBL26681019 0.90 TP53 (0.44) CHRM3LMNAPRKD1CHRNA10CHRNA9
SCHEMBL30687743 0.89 CHRM3 (0.46) CHRM3PRKD1CHRNA10CHRNA9DRD4
SCHEMBL26682995 0.89 CHRM3 (0.46) CHRM3PRKD1CHRNA10CHRNA9DRD4
SCHEMBL26680977 0.88 CHRNA10 (0.41) CHRM3CHRNA10CHRNA9DRD4MAPT
SCHEMBL26681259 0.88 CHRM3 (0.48) CHRM3LMNAPRKD1DRD4MAPT
SCHEMBL30687773 0.88 RXRA (0.49) CHRM3LMNADRD4MAPTDRD2
SCHEMBL26680482 0.88 RXRA (0.49) CHRM3LMNADRD4MAPTDRD2
SCHEMBL26682507 0.88 ALDH1A1 (0.42) CHRM3LMNAMAPTKDM4ETP53

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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