SCHEMBL6159969

SCHEMBL6159969

O=C(O)c1nc(C2CCCCC2)[nH]c1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.43
BRS3 P32247 1/20 0.43
CCKBR P32239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
EPHX2 P34913 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL6159896 0.81 CCKBR (0.67) CCKBR
SCHEMBL6158248 0.76 ADORA3 (0.39) CCKBRALDH1A1ADORA3
SCHEMBL6158657 0.75 CCKBR (0.47) CCKBR
SCHEMBL4803866 0.75 CCKBR (0.44) CCKBRNPC1RAB9AADORA3ADORA2A
SCHEMBL6159844 0.73 CCKBR (0.41) CCKBRALDH1A1TSHRADORA3ADORA2A
SCHEMBL6159433 0.73 CCKBR (0.47) CCKBREPHX2ADORA3
SCHEMBL6158930 0.72 CCKBR (0.41) CCKBREPHX2TSHRADORA3ADORA2A
SCHEMBL27569581 0.72 ADORA3 (0.38) CCKBRALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL6158023 0.69 CCKBR (0.66) CCKBR
SCHEMBL6159684 0.68 RNASEH1 (0.45) RNASEH1EPHX2NPC1EPHX1RAB9A

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