SCHEMBL30687743

SCHEMBL30687743

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.46
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM4 P08173 6/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ DDR1 Q08345 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ CHRNA10 Q9GZZ6 1/20 0.41
▸ CHRNA9 Q9UGM1 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL26682995 1.00 CHRM3 (0.46) CHRM3CHRM2CHRM1CHRM4PRKD1
SCHEMBL26683188 0.91 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4PRKD1
SCHEMBL26683056 0.89 CHRM3 (0.46) CHRM3CHRM4PRKD1DRD4CHRNA10
SCHEMBL30687784 0.89 CHRM2 (0.42) CHRM2CHRM1CHRM4DDR1DRD4
SCHEMBL26680994 0.89 CHRM2 (0.42) CHRM2CHRM1CHRM4DDR1DRD4
SCHEMBL30687630 0.88 TP53 (0.44) CHRM3CHRM4PRKD1DRD4CHRNA10
SCHEMBL26681019 0.88 TP53 (0.44) CHRM3CHRM4PRKD1DRD4CHRNA10
SCHEMBL30687744 0.88 CHRM3 (0.49) CHRM3CHRM2CHRM4PRKD1DDR1
SCHEMBL26681491 0.88 CHRM3 (0.49) CHRM3CHRM2CHRM4PRKD1DDR1
SCHEMBL26681477 0.87 BCL2 (0.47) CHRM3CHRM4DDR1MAPTKDM4E

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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