SCHEMBL30750439

SCHEMBL30750439

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.65
▸ MAOB P27338 1/20 0.60
▸ KDM5A P29375 1/20 0.60
▸ KDM1B Q8NB78 1/20 0.60
▸ OPRM1 P35372 9/20 0.56
▸ OPRK1 P41145 9/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ NMUR2 Q9GZQ4 2/20 0.56
▸ NMUR1 Q9HB89 2/20 0.56
▸ REN P00797 3/20 0.55
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54

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
SCHEMBL30436277 0.88 NTSR1 (0.60) OPRM1OPRK1NMUR2NMUR1NTSR2
SCHEMBL31276157 0.88 KDM1A (0.63) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29886800 0.88 NTSR2 (0.67) OPRM1OPRK1NTSR2NTSR1SORT1
SCHEMBL31186337 0.87 MAPK8 (0.64) KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL29419429 0.87 OPRM1 (0.59) KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL30942554 0.86 NPY4R (0.61) NTSR2
SCHEMBL1371717 0.86 KDM1A (0.71) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30381351 0.86 KDM1A (0.57) KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL38650581 0.86 KDM1A (0.62) KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL13599743 0.85 KDM1A (0.55) KDM1AMAOBKDM5AKDM1BNMUR2

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-117257923-A Composition for treating cat liver injury and preparation method and application thereof 大连深蓝肽科技研发有限公司 2023-12-22 — — CN claimed
CN-117257923-A Composition for treating cat liver injury and preparation method and application thereof 大连深蓝肽科技研发有限公司 2023-12-22 — — CN disclosed
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