SCHEMBL29584833

SCHEMBL29584833

COc1cc(-c2cc(C(=O)N3CC(C)CCC3C)n[nH]2)c(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.34
▸ HCRTR1 O43613 7/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRM4 P08173 2/20 0.32

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
SCHEMBL24423770 0.85 SCD (0.31) KDM5ACHRM4
SCHEMBL24422937 0.84 TDP1 (0.32) HCRTR2HCRTR1SMN1; SMN2CHRM4
SCHEMBL24423714 0.79 MGLL (0.33) KDM5ANPC1ALDH1A1HPGDRAB9A
SCHEMBL29585305 0.79 MGLL (0.33) KDM5ANPC1ALDH1A1HPGDRAB9A
SCHEMBL24423448 0.79 MGLL (0.33) KDM5ANPC1ALDH1A1HPGDRAB9A
SCHEMBL24423040 0.79 FFAR2 (0.35) KDM5ANPC1ALDH1A1HPGDRAB9A
SCHEMBL30630747 0.78 CHRM4 (0.35) NPC1ALDH1A1HPGDRAB9ACHRM4
SCHEMBL24424032 0.78 CHRM4 (0.35) NPC1ALDH1A1HPGDRAB9ACHRM4
SCHEMBL24424425 0.78 NPC1 (0.42) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24423866 0.78 GAA (0.40) KDM5ANPC1ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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