SCHEMBL6161155

SCHEMBL6161155

CCOC(=O)C12C=CC(CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A1 O15245 2/20 0.35
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4247811 0.90 OPRM1 (0.33) OPRM1SMN1; SMN2SLC22A1OPRD1OPRK1
SCHEMBL1451329 0.78 PPM1B (0.31) KCNH2MEN1KMT2A
SCHEMBL7659505 0.77 ALDH1A1 (0.38) SLC22A1POLBKDM4E
SCHEMBL10388300 0.76
SCHEMBL2350192 0.75 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7056468 0.74
Urethane SCHEMBL3260052 0.74 ALOX15 (0.42)
SCHEMBL10595248 0.73 NAAA (0.38) SMN1; SMN2
SCHEMBL10595092 0.73 NAAA (0.38) SMN1; SMN2
SCHEMBL10591972 0.73 NAAA (0.38) SMN1; SMN2

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