SCHEMBL7656431

SCHEMBL7656431

CC(=O)SCCN(CCC(C)C)C(=O)N[C@H](CC(C)C)CN1CCN(C)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 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
SCHEMBL6895470 0.85 HDAC3 (0.33) MC4RHDAC3HDAC8
SCHEMBL6897620 0.85 SIGMAR1 (0.37) MC4R
SCHEMBL27559931 0.81 CACNA1B (0.38)
SCHEMBL6897654 0.75 MC4R (0.37) MC4R
SCHEMBL7214805 0.74 TACR1 (0.38)
SCHEMBL6894683 0.71 MMP2 (0.39)
SCHEMBL6890733 0.71 HSD17B10 (0.47)
SCHEMBL7676098 0.70 SIGMAR1 (0.40) MC4R
SCHEMBL6896883 0.70 SIGMAR1 (0.40) MC4R
SCHEMBL6740809 0.68 CHRNB2 (0.33)

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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed