SCHEMBL7459807

SCHEMBL7459807

O=C(OCc1ccccc1)c1cccc(NC(=O)c2c(C(O)C34CC5CC(CC(C5)C3)C4)nc(-c3c(Cl)cccc3Cl)n2O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MAPT P10636 9/20 0.39
CASR P41180 1/20 0.39
LMNA P02545 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
TP53 P04637 2/20 0.37
GALK1 P51570 1/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6161135 0.85 CCKBR (0.43) RAB9AMAPTLMNAKDM1AMAOA
SCHEMBL6160606 0.74 CCKBR (0.52)
SCHEMBL6159631 0.70 CCKBR (0.53) RAB9AMAPTKDM1AMAOAKDM1B
SCHEMBL7462643 0.67 RAB9A (0.54) RAB9AMAPTKDM1AMAOAKDM1B
SCHEMBL6159493 0.65
SCHEMBL7080456 0.65
SCHEMBL6166887 0.65
SCHEMBL6492753 0.65 POLB (0.46) RAB9AMAPTLMNATP53POLB
SCHEMBL6161342 0.64 CCKBR (0.51)
SCHEMBL7083603 0.64 CCKBR (0.81) RAB9A

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
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed