SCHEMBL29476408

SCHEMBL29476408

C[C@@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.53
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ CXCR4 P61073 4/20 0.52
▸ C5AR1 P21730 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.51
▸ DPP3 Q9NY33 5/20 0.51
▸ TACR2 P21452 1/20 0.48

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
SCHEMBL29476405 0.96 KISS1R (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL29476509 0.96 KISS1R (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL31620052 0.91 C5AR1 (0.57) KISS1RCXCR4C5AR1IL23RDPP3
SCHEMBL29476485 0.89 DPP3 (0.55) KISS1RCXCR4C5AR1IL23RDPP3
SCHEMBL29476615 0.89 DPP3 (0.55) KISS1RCXCR4C5AR1IL23RDPP3
SCHEMBL31376716 0.88 CXCR4 (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL30264798 0.87 KISS1R (0.52) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL30264942 0.87 KISS1R (0.52) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL31665911 0.86 CXCR4 (0.61) KISS1RCXCR4C5AR1IL23R
SCHEMBL29546449 0.86 C5AR1 (0.56) KISS1RCXCR4C5AR1IL23RDPP3

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
EP-4216979-A1 METHODS OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS Rhythm Pharmaceuticals, Inc. (US) 2023-08-02 — — EP disclosed
WO-2022067086-A1 METHODS OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS RHYTHM PHARMACEUTICALS, INC. (US) 2022-03-31 — — WO disclosed
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