SCHEMBL6215486

SCHEMBL6215486

CC=C1C(=O)Nc2cc(C3CCN(C4CCC(CCC)CC4)CC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.40
OPRM1 P35372 5/20 0.39
OPRK1 P41145 2/20 0.39
IKZF2 Q9UKS7 1/20 0.36
KDR P35968 2/20 0.35
ALK Q9UM73 2/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TLR9 Q9NR96 4/20 0.33
TLR7 Q9NYK1 4/20 0.33
TLR8 Q9NR97 1/20 0.33
ABL1 P00519 1/20 0.31
INSR P06213 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
FGFR2 P21802 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4305741 0.75 OPRL1 (0.43) OPRL1OPRM1OPRK1IKZF2KDR
SCHEMBL6210565 0.74 DRD2 (0.48) IKZF2ALDH1A1TLR9TLR7TLR8
SCHEMBL6210841 0.71 PIK3CA (0.41) OPRM1KDRALKCYP2C9IGF1R
SCHEMBL6212055 0.71 ACHE (0.48) OPRL1OPRM1MEN1KMT2A
SCHEMBL6212405 0.69 MEN1 (0.35) KDRALDH1A1MAPTMEN1KMT2A
SCHEMBL6212065 0.67 NPC1 (0.48) OPRL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1863063 0.67 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL1863062 0.67 OPRL1 (0.60) OPRL1OPRM1OPRK1
SCHEMBL10992847 0.67 MEN1 (0.44) OPRL1OPRM1OPRK1KDRALK
SCHEMBL10992849 0.67 MEN1 (0.44) OPRL1OPRM1OPRK1KDRALK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 EP claimed
EP-1379246-A1 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 EP claimed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO claimed
EP-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 EP disclosed
EP-1379246-A1 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 EP disclosed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO disclosed