SCHEMBL31419820

SCHEMBL31419820

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 9/20 0.44
▸ NTSR1 P30989 9/20 0.44
▸ SORT1 Q99523 9/20 0.44
▸ NPY4R P50391 4/20 0.42
▸ NPY1R P25929 3/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL31467772 0.93 EPHA2 (0.41) NTSR2NTSR1SORT1NPY4RNPY1R
SCHEMBL31223770 0.93 KEAP1 (0.44) NTSR2NTSR1PLK1
SCHEMBL31419809 0.92 NMUR2 (0.44) NTSR2NTSR1SORT1NPY4RNPY1R
SCHEMBL8876493 0.90 NPY4R (0.60) NTSR2NTSR1SORT1NPY4RNPY1R
SCHEMBL9616909 0.88 OPRK1 (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9616907 0.88 OPRK1 (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL11644393 0.88 OPRK1 (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30437074 0.87 EPHA2 (0.41) KDM1ATGM2
SCHEMBL31481586 0.87 OPRK1 (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31437202 0.87 OPRM1 (0.46) NTSR2NTSR1KDM1A

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-119523838-A Novel compound with efficient mosquito-repellent itching-relieving effect and application thereof 北京斯瑞朗文生物科技有限公司 2025-02-28 — — CN disclosed
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