SCHEMBL28940921

SCHEMBL28940921

CC(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC(C)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.56
▸ IL23R Q5VWK5 10/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ KISS1R Q969F8 2/20 0.53

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
SCHEMBL30014698 1.00 MC4R (0.56) MC4RIL23RCTSLCTSSCTSK
SCHEMBL30418415 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL12094764 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL12094801 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL29862124 0.93 KISS1R (0.58) MC4RCTSLCTSSCTSKCTSH
SCHEMBL12094797 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL12094757 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL12094755 0.93 MC4R (0.58) MC4RIL23RCTSLCTSSCTSK
SCHEMBL29862470 0.93 KISS1R (0.59) MC4RKISS1R
SCHEMBL31141775 0.93 MC4R (0.56) MC4RIL23RCTSLCTSSCTSK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115884790-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司 2023-03-31 — — CN claimed
CN-115884790-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司 2023-03-31 — — CN disclosed
CN-115590966-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司(US) 2023-01-13 — — CN disclosed
CN-115350184-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司 2022-11-18 — — CN disclosed
CN-115304595-A Therapeutic combinations of drugs and methods of use thereof 康圣博施医药有限公司 2022-11-08 — — CN disclosed
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