SCHEMBL30687784

SCHEMBL30687784

CCCNC(=O)c1ccc(N2CCN(Cc3cc(OC(F)(F)F)cc(-c4cncc(O)c4)c3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ DDR1 Q08345 3/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40
▸ CHRNA9 Q9UGM1 1/20 0.40
▸ PRKAA2 P54646 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL26680994 1.00 CHRM2 (0.42) CHRM2CHRM1SSTR5DDR1DRD3
SCHEMBL26682854 0.92 SSTR5 (0.44) CHRM2CHRM1SSTR5DDR1DRD3
SCHEMBL26680977 0.90 CHRNA10 (0.41) DRD3DRD2DRD4CHRNA10CHRNA9
SCHEMBL26682995 0.89 CHRM3 (0.46) CHRM2CHRM1DDR1DRD3DRD2
SCHEMBL30687743 0.89 CHRM3 (0.46) CHRM2CHRM1DDR1DRD3DRD2
SCHEMBL26682606 0.88 TP53 (0.43) DRD3DRD2DRD4CHRNA10CHRNA9
SCHEMBL26681006 0.88 DRD3 (0.44) DDR1DRD3DRD2DRD4CHRM4
SCHEMBL30687571 0.88 DRD3 (0.44) DDR1DRD3DRD2DRD4CHRM4
SCHEMBL26682169 0.88 CHEK1 (0.45) SSTR5DDR1DRD3DRD2DRD4
SCHEMBL26680403 0.87 DRD2 (0.45) SSTR5DRD3DRD2DRD4CHRM4

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
Send feedback