SCHEMBL26680403

SCHEMBL26680403

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ CHEK1 O14757 2/20 0.45
▸ PPARD Q03181 5/20 0.41
▸ PPARA Q07869 5/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ CHRM4 P08173 4/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ TPX2 Q9ULW0 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ CCR5 P51681 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
SCHEMBL26681657 0.88 DRD2 (0.41) DRD2DRD4DRD3CHEK1PPARD
SCHEMBL26683121 0.88 MEN1 (0.43) DRD2DRD4DRD3PPARDPPARA
SCHEMBL26682956 0.87 ITGB3 (0.44) DRD2DRD4DRD3PPARDPPARA
SCHEMBL26680994 0.87 CHRM2 (0.42) DRD2DRD4DRD3PPARDPPARA
SCHEMBL26682169 0.87 CHEK1 (0.45) DRD2DRD4DRD3CHEK1PPARD
SCHEMBL30687784 0.87 CHRM2 (0.42) DRD2DRD4DRD3PPARDPPARA
SCHEMBL26680525 0.86 CHEK1 (0.48) DRD2DRD4DRD3CHEK1ITGB3
SCHEMBL26682438 0.86 DRD2 (0.47) DRD2DRD4DRD3CHEK1PPARD
SCHEMBL26680378 0.86 CCR5 (0.48) DRD2DRD4DRD3CHEK1ITGB3
SCHEMBL26683102 0.85 DDR1 (0.40) DRD2DRD4DRD3CHEK1PPARD

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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