SCHEMBL7673732

SCHEMBL7673732

C=CCCN(CCSC(C)=O)C(=O)NC(C)C(=O)N1CCN(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32

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
SCHEMBL6899179 1.00 HTR1A (0.32) HTR1A
SCHEMBL6898797 0.87 HTR1A (0.33) HTR1A
SCHEMBL6899406 0.84 KDM4E (0.34) HTR1A
SCHEMBL6895514 0.83 MBOAT4 (0.33) HTR1A
SCHEMBL6891091 0.82 TP53 (0.33) HTR1A
SCHEMBL6896007 0.81 ALDH1A1 (0.31)
SCHEMBL27559938 0.81 ALDH1A1 (0.31)
SCHEMBL6897336 0.81 TP53 (0.34) HTR1A
SCHEMBL7657328 0.81 TP53 (0.34) HTR1A
SCHEMBL6895866 0.81 TP53 (0.34) HTR1A

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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed