SCHEMBL30687749

SCHEMBL30687749

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.37
▸ PPARA Q07869 6/20 0.37
▸ PPARD Q03181 3/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ PANK3 Q9H999 2/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ DDR1 Q08345 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL26680747 1.00 PPARG (0.37) PPARGPPARAPPARDPARP1PANK3
SCHEMBL26681318 0.92 PPARG (0.38) PPARGPPARAPPARDPARP1PANK3
SCHEMBL26682347 0.90 SLC6A9 (0.36) PPARGPPARAPPARDPARP1PANK3
SCHEMBL30687628 0.90 SLC6A9 (0.36) PPARGPPARAPPARDPARP1PANK3
SCHEMBL26682773 0.90 PARP1 (0.38) PPARGPPARAPPARDPARP1SSTR5
SCHEMBL26681672 0.89 PPARG (0.40) PPARGPPARAPPARDPANK3MGLL
SCHEMBL30687575 0.89 PPARG (0.40) PPARGPPARAPPARDPANK3MGLL
SCHEMBL26681639 0.88 PARP1 (0.36) PPARGPPARAPARP1PARP2
SCHEMBL30687772 0.88 PPARG (0.40) PPARGPPARAPPARDPARP1PARP2
SCHEMBL26681175 0.88 PPARG (0.40) PPARGPPARAPPARDPARP1PARP2

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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