SCHEMBL534472

SCHEMBL534472

C#C[C@H]1CN(C(=O)O)CC[C@]1(O)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.37
OPRK1 P41145 8/20 0.37
OPRM1 P35372 4/20 0.37
CCR2 P41597 1/20 0.34
SLC6A3 Q01959 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
REN P00797 1/20 0.33
KCNH2 Q12809 1/20 0.33
MC4R P32245 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL534534 0.88 OPRD1 (0.36) OPRD1OPRK1OPRM1CCR2SLC6A3
SCHEMBL556467 0.83 RORC (0.40) RORC
SCHEMBL3384526 0.74 DRD2 (0.45) OPRD1OPRK1OPRM1KMT2AMEN1
SCHEMBL16423307 0.73 RORC (0.42) OPRD1OPRK1OPRM1SLC6A3KMT2A
SCHEMBL16423136 0.73 SLC6A3 (0.41) OPRD1OPRK1OPRM1SLC6A3KMT2A
SCHEMBL556661 0.73 RORC (0.40) OPRD1OPRK1OPRM1SLC6A3KMT2A
SCHEMBL557090 0.73 RORC (0.39) RORC
SCHEMBL2531562 0.72 DRD2 (0.41) CCR2KMT2ARORCMEN1
SCHEMBL556084 0.71 OPRK1 (0.42) OPRD1OPRK1OPRM1RORC
SCHEMBL556468 0.71 CCR2 (0.34) CCR2SLC6A3KMT2ATSHRRORC

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-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed