SCHEMBL6161135

SCHEMBL6161135

O=C(OCc1ccccc1)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nc(-c3c(Cl)cccc3Cl)n2O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 8/20 0.39
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
BLM P54132 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6160606 0.90 CCKBR (0.52) CCKBR
SCHEMBL7459807 0.85 RAB9A (0.42) RAB9AMAPTKDM1AMAOAKDM1B
SCHEMBL6159631 0.84 CCKBR (0.53) CCKBRRAB9AMAPTKDM1AMAOA
SCHEMBL6161342 0.80 CCKBR (0.51) CCKBR
SCHEMBL6492753 0.76 POLB (0.46) CCKBRRAB9AMAPTLMNAPOLB
SCHEMBL6161329 0.74 CCKBR (0.55) CCKBR
SCHEMBL6158876 0.73 CCKBR (0.64) CCKBRRAB9AKMT2A
SCHEMBL7462643 0.72 RAB9A (0.54) CCKBRRAB9AMAPTKDM1AMAOA
SCHEMBL6159947 0.72 CCKBR (0.65) CCKBRRAB9A
SCHEMBL7083603 0.72 CCKBR (0.81) CCKBRRAB9A

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-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed