SCHEMBL30553959

SCHEMBL30553959

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.56
▸ KISS1R Q969F8 3/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSH P09668 1/20 0.53
▸ GIPR P48546 3/20 0.53
▸ GCGR P47871 2/20 0.53
▸ GLP1R P43220 2/20 0.53
▸ CALCA P06881 2/20 0.52
▸ IL23R Q5VWK5 1/20 0.52

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
SCHEMBL30439907 0.94 NPY1R (0.59) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL30523602 0.89 NPY1R (0.58) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL31073511 0.89 CXCR4 (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29435102 0.87 KISS1R (0.58) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL29412272 0.85 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31057848 0.85 CAPN1 (0.59) KISS1RGIPRGLP1R
SCHEMBL30914571 0.85 RAMP3 (0.50) —
SCHEMBL30988898 0.84 CTSL (0.56) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL29645138 0.84 CXCR4 (0.58) CXCR4KISS1RCTSLCTSSCTSK
SCHEMBL30512640 0.84 CXCR4 (0.69) CXCR4CTSLCTSSCTSKCTSH

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-116655770-A Fatty acid modified thrombopoietin mimetic peptide homotetramer, and preparation method and application thereof 乐普健糖药业(重庆)有限公司 2023-08-29 — — CN disclosed
Send feedback