SCHEMBL28721339

SCHEMBL28721339

O=C(N[C@H]1CC[C@H](N2CCNC2=O)CC1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ TSHR P16473 1/20 0.57
▸ DPP4 P27487 7/20 0.53
▸ DPP7 Q9UHL4 7/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ EPHX1 P07099 1/20 0.51
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL28721342 1.00 GAA (0.59) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL3948456 0.81 ALDH1A1 (0.85) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL381922 0.81 ALDH1A1 (0.85) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL3948461 0.81 ALDH1A1 (0.85) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL20064375 0.81 ALDH1A1 (0.58) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL21227837 0.81 ALDH1A1 (0.58) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL2858459 0.80 SMN1; SMN2 (0.61) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL28135182 0.80 ALDH1A1 (0.83) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL21227897 0.79 ALDH1A1 (0.56) GAAALDH1A1TSHRDPP4DPP7
SCHEMBL85637 0.79 ALDH1A1 (0.56) GAAALDH1A1TSHRDPP4DPP7

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
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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