SCHEMBL2126980

SCHEMBL2126980

CO[C@@]1(O)CCCCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRL1 P41146 2/20 0.42
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
DPP4 P27487 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
PDE4A P27815 1/20 0.36
KCNA5 P22460 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
FKBP1A P62942 3/20 0.35
SGMS2 Q8NHU3 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 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
SCHEMBL8717934 0.79 OPRM1 (0.44) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL8703203 0.78 OPRM1 (0.44) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL28331193 0.76 TACR1 (0.40) OPRM1OPRL1DPP4MEN1ALDH1A1
SCHEMBL27783290 0.76 OPRM1 (0.38) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL24792758 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL24792755 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL24792756 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL30137974 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL12557616 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B
SCHEMBL24792759 0.74 OPRM1 (0.47) OPRM1OPRL1PSEN1PSEN2APH1B

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-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed