SCHEMBL6161018

SCHEMBL6161018

CCC(C)Cc1[nH]c(-c2ccccc2C)nc1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
MAPT P10636 2/20 0.39
STAT1 P42224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 3/20 0.39
SLC9A1 P19634 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL6159783 0.80 SLC9A1 (0.39) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL6158738 0.76 EPHX2 (0.40)
SCHEMBL8963796 0.68 SLC9A1 (0.50) RAB9ANPSR1NPC1SLC9A1SMN1; SMN2
SCHEMBL6157631 0.67
SCHEMBL21572853 0.66 TDP1 (0.58) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL8963836 0.65 SLC9A1 (0.50) RAB9ANPSR1NPC1SLC9A1SMN1; SMN2
SCHEMBL5554927 0.65 KDM4E (0.48) RAB9AMAPTNPSR1POLBKMT2A
SCHEMBL20201222 0.65 POLB (0.57) RAB9AMAPTPOLBNPC1KMT2A
SCHEMBL25541336 0.65 TDP1 (0.51) RAB9AMAPTSTAT1NPSR1NPC1
SCHEMBL19928470 0.64 TDP1 (0.54) RAB9AMAPTSTAT1NPSR1POLB

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 4 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
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