SCHEMBL1769552

SCHEMBL1769552

CCOC(=O)C1(c2ccc(N)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.43
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31572381 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6773375 0.81 NR1H2 (0.40) MAPTALOX15
SCHEMBL1769439 0.79 ALDH1A1 (0.47) OPRM1LMNACYP1A2CYP3A4MAPT
SCHEMBL16744656 0.79 OPRM1 (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31572390 0.79 HDAC4 (0.39) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL12185589 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1769207 0.76 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273573 0.75 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31482947 0.74 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL32679938 0.74 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed