Sugi Predict

Sugi Predict / Compounds / SCHEMBL7657328

SCHEMBL7657328

SCHEMBL7657328

CC(=O)SCCN(CCC1CCCC1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1.CC(=O)SCCN(CCC1CCCC1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1.[H+]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ MCHR1 Q99705 3/20 0.32
▸ MBOAT4 Q96T53 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ CHRM3 P20309 3/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ HDAC3 O15379 2/20 0.30
▸ HDAC8 Q9BY41 2/20 0.30
▸ HTR1A P08908 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
SCHEMBL6895866 1.00 TP53 (0.34) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL7664089 0.99 TP53 (0.35) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6897336 0.99 TP53 (0.34) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6897826 0.98 TP53 (0.36) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6897959 0.98 TP53 (0.36) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6898851 0.98 TP53 (0.36) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6891091 0.98 TP53 (0.33) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6897036 0.95 LMNA (0.36) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6895514 0.95 MBOAT4 (0.33) TP53MCHR1MBOAT4HRH3HTR1A
Cadaverine Tartrate SCHEMBL6895714 0.94 TP53 (0.32) TP53MCHR1MBOAT4CHRM3

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