SCHEMBL12475153

SCHEMBL12475153

Fc1ccccc1[C@]1(C(F)F)CCOC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
HDAC4 P56524 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL27987538 0.72 BACE1 (0.41) BACE1HDAC4OPRM1OPRD1OPRK1
SCHEMBL12475301 0.72 BACE1 (0.39) BACE1HDAC4OPRM1OPRD1OPRK1
SCHEMBL7571494 0.72 P2RX7 (0.35) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL26685809 0.70
SCHEMBL17982784 0.68 HDAC4 (0.38) BACE1HDAC4OPRM1OPRD1OPRK1
SCHEMBL18021960 0.68 OPRM1 (0.51) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2461591 0.68 PDE10A (0.42) BACE1PDE10A
SCHEMBL21937614 0.67 HDAC4 (0.40) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL28014947 0.67 SLC6A4 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4006359 0.66 ALDH1A1 (0.37) BACE1HDAC4OPRM1OPRD1OPRK1

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-2672982-A2 GHRELIN MIMETIC POLYPEPTIDE HAPTEN IMMUNOCONJUGATES HAVING IMPROVED SOLUBILITY AND IMMUNOGENICITY AND METHODS OF USE THEREOF The Scripps Research Institute (US) 2013-12-18 EP claimed
WO-2012108960-A2 GHRELIN MIMETIC POLYPEPTIDE HAPTEN IMMUNOCONJUGATES HAVING IMPROVED SOLUBILITY AND IMMUNOGENICITY AND METHODS OF USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-16 WO claimed