SCHEMBL7664089

SCHEMBL7664089

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1.[H+]

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CHRM3 P20309 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
MCHR1 Q99705 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
MMP1 P03956 3/20 0.31
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
MMP8 P22894 3/20 0.31
MMP13 P45452 3/20 0.31
EPHX2 P34913 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE9A O76083 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
SCHEMBL6897959 0.99 TP53 (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6898851 0.99 TP53 (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897826 0.99 TP53 (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6895866 0.99 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL7657328 0.99 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897336 0.98 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6891091 0.97 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897036 0.96 LMNA (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
Cadaverine Tartrate SCHEMBL6891356 0.94 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1KDM4E
Cadaverine Tartrate SCHEMBL6891161 0.94 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1KDM4E

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