SCHEMBL6075438

SCHEMBL6075438

Cc1cccc2c1CCC(C(=O)N1CCC(c3ccccc3CO)CC1)CC2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 5/20 0.39
OPRL1 P41146 2/20 0.38
KCNH2 Q12809 1/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
TSHR P16473 2/20 0.36
HTR7 P34969 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
CCR6 P51684 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL6490761 0.90 OPRL1 (0.43) KMT2AMEN1OPRL1KCNH2KEAP1
SCHEMBL6080094 0.86 BACE1 (0.41) KMT2AMEN1OPRL1KCNH2KEAP1
SCHEMBL6076026 0.86 ALDH1A1 (0.40) KMT2AMEN1OPRL1KCNH2KEAP1
SCHEMBL6501862 0.85 BACE1 (0.42) KMT2AMEN1KCNH2TSHRNPSR1
SCHEMBL6081664 0.84 RBP4 (0.44) OPRL1
SCHEMBL6075129 0.84 RBP4 (0.50)
SCHEMBL6075935 0.84 KMT2A (0.40) KMT2AMEN1OPRL1TSHRNPSR1
SCHEMBL6264475 0.83 RORC (0.38) KMT2AMEN1OPRL1KCNH2KEAP1
SCHEMBL6076082 0.83 OPRL1 (0.38) KMT2AMEN1OPRL1KCNH2TSHR
SCHEMBL6079726 0.83 KMT2A (0.40) KMT2AMEN1OPRL1KCNH2KEAP1

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
US-7115633-B2 Central nervous system disorders; Alzheimer's diseases; eating disorders GLAXOSMITHKLINE S.P.A. (IT) 2006-10-03 US disclosed
EP-1278729-B1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE SPA (IT) 2005-11-09 EP disclosed
EP-1278729-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GlaxoSmithKline S.p.A. (IT) 2003-01-29 EP disclosed
WO-2001083454-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE S.P.A. (IT) 2001-11-08 WO disclosed