SCHEMBL29475033

SCHEMBL29475033

NC(=O)c1ccc(N2CCCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.71
▸ OPRM1 P35372 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ HRH3 Q9Y5N1 8/20 0.54
▸ PARP1 P09874 1/20 0.53
▸ SMO Q99835 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NNMT P40261 1/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ KCNQ3 O43525 1/20 0.49
▸ KCNQ2 O43526 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48

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
SCHEMBL30289763 1.00 UBE2T (0.71) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL29074197 0.98 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL27739969 0.98 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5010433 0.98 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL30415822 0.98 UBE2T (0.69) UBE2TOPRM1OPRK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5008434 0.97 UBE2T (0.67) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL29847287 0.89 UBE2T (0.60) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL27930875 0.87 UBE2T (0.54) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL28694330 0.87 ALDH1A1 (0.64) UBE2TOPRM1OPRK1ALDH1A1HPGD
SCHEMBL5008448 0.85 UBE2T (0.53) UBE2TOPRM1OPRK1ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024217344-A1 NAV1.8 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2024-10-24 — — WO disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
CN-118324743-A Nav1.8 inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2024-07-12 — — CN disclosed
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 — — CN disclosed
CN-115724847-A 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2023-03-03 — — CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 — — CN disclosed
CN-105254634-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives useful in the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-05-27 — — CN disclosed
CN-109729716-B PI3K inhibitor combination 拜耳制药股份公司 2022-03-15 — — CN disclosed
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