SCHEMBL6160554

SCHEMBL6160554

Cn1c(C2CCCCC2)nc(C(=O)OCc2ccccc2)c1CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.39
EPHX2 P34913 4/20 0.38
ADORA3 P0DMS8 4/20 0.37
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6330492 0.86 GPR119 (0.36) FKBP1AEPHX2ADORA3KMT2AALDH1A1
SCHEMBL6160177 0.86 KMT2A (0.39) FKBP1AEPHX2ADORA3KMT2ACYP3A4
SCHEMBL6161308 0.80 EPHX2 (0.39) FKBP1AEPHX2KMT2AALDH1A1
SCHEMBL6159433 0.79 CCKBR (0.47) EPHX2ADORA3
SCHEMBL6097679 0.77 CCKBR (0.40) FKBP1AEPHX2ADORA3KMT2ATSHR
SCHEMBL6159409 0.75 CCKBR (0.46) EPHX2ADORA3
SCHEMBL6330062 0.71 EPHX2 (0.37) EPHX2KMT2A
SCHEMBL6159838 0.71 PPARG (0.39)
SCHEMBL7996814 0.71 GPR119 (0.36) FKBP1AEPHX2ADORA3KMT2ACYP3A4
SCHEMBL6164287 0.70 EPHX2 (0.34) FKBP1AEPHX2KMT2AALDH1A1

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