SCHEMBL30769779

SCHEMBL30769779

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ NTMT1 Q9BV86 1/20 0.37
▸ REN P00797 2/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ CTSL P07711 3/20 0.36
▸ CTSS P25774 3/20 0.36
▸ CTSK P43235 3/20 0.36
▸ CTSH P09668 1/20 0.36
▸ PSMB9 P28065 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ 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
SCHEMBL30769690 0.97 CTSL (0.39) TRHRPTPN1TACR1NTMT1REN
SCHEMBL30356636 0.90 APLNR (0.40) TRHRPTPN1PSMB9F2APLNR
SCHEMBL29720744 0.89 ITGB1 (0.42) TRHRCMA1F2
SCHEMBL30356635 0.88 APLNR (0.39) TRHRPTPN1PSMB9F2APLNR
SCHEMBL30769519 0.88 CTSL (0.41) RENCTSLCTSSCTSKCTSH
SCHEMBL30274845 0.85 TRHR (0.46) TRHR
SCHEMBL29630473 0.84 SLC6A2 (0.44) PTPN1RENPSMB9
SCHEMBL31201041 0.82 CTSL (0.41) TRHRCTSLCTSSCTSKCTSH
SCHEMBL29630642 0.80 OPRM1 (0.49) —
SCHEMBL31031470 0.80 CAPN1 (0.38) TACR1NTMT1F2

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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