SCHEMBL30769519

SCHEMBL30769519

C[C@H](NC(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSH P09668 1/20 0.39
▸ CALCRL Q16602 2/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ F2 P00734 4/20 0.37
▸ RAMP1 O60894 1/20 0.36
▸ REN P00797 2/20 0.36
▸ C5AR1 P21730 1/20 0.36

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
SCHEMBL30769690 0.91 CTSL (0.39) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30769779 0.88 TRHR (0.37) CTSLCTSSCTSKCTSHPSMB9
SCHEMBL30542895 0.87 CTSL (0.43) CTSLCTSSCTSKCTSHF2
SCHEMBL30356636 0.82 APLNR (0.40) PSMB9APLNRF2C5AR1
SCHEMBL31201041 0.81 CTSL (0.41) CTSLCTSSCTSKCTSHF2
SCHEMBL30356635 0.81 APLNR (0.39) PSMB9APLNRF2C5AR1
SCHEMBL30933087 0.80 APLNR (0.56) APLNRF2
SCHEMBL30558187 0.80 FAP (0.42) CALCRLITGB3APLNRF2REN
SCHEMBL8365147 0.79 CTSL (0.48) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30558194 0.79 FAP (0.40) CALCRLITGB3APLNRF2RAMP1

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-117562980-A Application of I-C-F-6 product in preventing and treating brain diseases 上海大学 2024-02-20 — — CN disclosed
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