SCHEMBL26682956

SCHEMBL26682956

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CHRM4 P08173 6/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 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
SCHEMBL26682082 0.88 OPRD1 (0.44) ITGB3ITGA2BCHRM3PPARDPPARA
SCHEMBL26680403 0.87 DRD2 (0.45) ITGB3ITGA2BDRD2DRD3CHRM4
SCHEMBL26680663 0.87 MEN1 (0.42) ITGB3ITGA2BDRD2DRD3CHRM4
SCHEMBL30687743 0.86 CHRM3 (0.46) DRD2DRD3CHRM4CHRM3DRD4
SCHEMBL26682995 0.86 CHRM3 (0.46) DRD2DRD3CHRM4CHRM3DRD4
SCHEMBL26681477 0.86 BCL2 (0.47) CHRM4CHRM3PPARDPPARA
SCHEMBL30687773 0.86 RXRA (0.49) ITGB3ITGA2BDRD2DRD3CHRM3
SCHEMBL26680482 0.86 RXRA (0.49) ITGB3ITGA2BDRD2DRD3CHRM3
SCHEMBL26681750 0.86 PPARD (0.46) ITGB3ITGA2BDRD2DRD3CHRM3
SCHEMBL26682099 0.85 RXRA (0.49) ITGB3ITGA2BDRD2DRD3ESR1

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