SCHEMBL27405296

SCHEMBL27405296

C=C(N)C(=O)[C@@H](C)CCCNC(C)=N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PAOX Q6QHF9 2/20 0.30

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
SCHEMBL14509190 0.83 KDM4E (0.34) ITGB3ITGA2BKDM4EMAPK1HIF1A
SCHEMBL25477138 0.83 KDM4E (0.34) ITGB3ITGA2BKDM4EMAPK1HIF1A
SCHEMBL14509061 0.79 KISS1R (0.38) KDM4EMAPK1HIF1APAOX
SCHEMBL18233190 0.79 KISS1R (0.38) KDM4EMAPK1HIF1APAOX
SCHEMBL18233928 0.78 BLM (0.46) ITGB3ITGA2BKDM4EMAPK1HIF1A
SCHEMBL15030995 0.78 BLM (0.46) ITGB3ITGA2BKDM4EMAPK1HIF1A
SCHEMBL22807623 0.76 CNR1 (0.33) ITGB3ITGA2B
SCHEMBL19538524 0.76 — —
SCHEMBL14402902 0.75 KISS1R (0.39) KDM4EMAPK1HIF1A
SCHEMBL16627562 0.74 KDM4E (0.40) ITGB3ITGA2BKDM4EMAPK1HIF1A

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
WO-2024108198-A2 METHODS OF TREATING OBESITY WITH AN MC4R AGONIST RHYTHM PHARMACEUTICALS, INC. (US) 2024-05-23 — — WO disclosed
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