SCHEMBL30769690

SCHEMBL30769690

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSH P09668 1/20 0.37
▸ F2 P00734 4/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ TRHR P34981 1/20 0.36
▸ C5AR1 P21730 1/20 0.36
▸ NTMT1 Q9BV86 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ CMA1 P23946 1/20 0.35
▸ REN P00797 1/20 0.35
▸ APLNR P35414 1/20 0.35

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
SCHEMBL30769779 0.97 TRHR (0.37) CTSLCTSSCTSKCTSHF2
SCHEMBL30769519 0.91 CTSL (0.41) CTSLCTSSCTSKCTSHF2
SCHEMBL30356636 0.87 APLNR (0.40) F2PTPN1TRHRC5AR1OPRM1
SCHEMBL29720744 0.86 ITGB1 (0.42) F2TRHRCMA1
SCHEMBL30356635 0.86 APLNR (0.39) F2PTPN1TRHRC5AR1OPRM1
SCHEMBL31201041 0.83 CTSL (0.41) CTSLCTSSCTSKCTSHF2
SCHEMBL30542895 0.83 CTSL (0.43) CTSLCTSSCTSKCTSHF2
SCHEMBL30274845 0.83 TRHR (0.46) TRHR
SCHEMBL29630473 0.82 SLC6A2 (0.44) PTPN1REN
SCHEMBL29498239 0.80 DPP4 (0.38) CTSLCTSSCTSKF2OPRM1

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