SCHEMBL28720062

SCHEMBL28720062

O=C(NC1CCC(N2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GPR55 Q9Y2T6 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ DPP4 P27487 7/20 0.44
▸ DPP7 Q9UHL4 7/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL28720061 1.00 ALDH1A1 (0.47) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL22614261 0.84 PDE4B (0.45) ALDH1A1MEN1KMT2AF2F10
SCHEMBL22614259 0.84 PDE4B (0.45) ALDH1A1MEN1KMT2AF2F10
SCHEMBL28723804 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL29409135 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL22616354 0.79 PDE4B (0.41) F2F10
SCHEMBL22616356 0.79 PDE4B (0.41) F2F10
SCHEMBL20064375 0.78 ALDH1A1 (0.58) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL22622798 0.76 ALDH1A1 (0.46) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL28514538 0.76 ALDH1A1 (0.46) ALDH1A1GAATSHRMEN1KMT2A

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
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 — — CN disclosed
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN disclosed
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