SCHEMBL26681672

SCHEMBL26681672

O=C(O)c1ccc(N2CCN(Cc3cc(OC(F)(F)F)cc(-c4cncc(O)c4)c3)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.40
▸ PPARA Q07869 6/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ PANK3 Q9H999 2/20 0.38
▸ CHRM4 P08173 2/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL30687575 1.00 PPARG (0.40) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL30687668 0.90 PPARG (0.40) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL30687711 0.89 PPARG (0.39) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL26680793 0.89 PPARG (0.39) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL26680747 0.89 PPARG (0.37) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL30687749 0.89 PPARG (0.37) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL30687602 0.88 SCD (0.41) CHRM4CHRM2CHRM1
SCHEMBL26682910 0.88 PARP1 (0.38) PPARGPPARAPPARDPANK3CHRM4
SCHEMBL26680969 0.88 SCD (0.41) CHRM4CHRM2CHRM1
SCHEMBL26682264 0.87 PARP1 (0.40) PPARGPPARAPPARDDRD2DRD4

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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