SCHEMBL11246162

SCHEMBL11246162

CN(Cc1ccccc1)C1CCC2(CC1N(C)C(=O)O)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
LMNA P02545 3/20 0.43
C5AR1 P21730 2/20 0.43
OPRD1 P41143 3/20 0.42
OPRK1 P41145 5/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
TSHR P16473 2/20 0.39
EBP Q15125 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
SCHEMBL11246158 1.00 SLC18A3 (0.47) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11241533 0.95 SLC18A3 (0.47) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11234547 0.84 SLC18A3 (0.60) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11304371 0.84 SLC18A3 (0.60) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11234543 0.84 SLC18A3 (0.60) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11234242 0.83 SLC18A3 (0.41) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11248819 0.83 SLC18A3 (0.44) SLC18A3LMNAC5AR1OPRD1OPRK1
SCHEMBL11234248 0.83 SLC18A3 (0.41) SLC18A3LMNAC5AR1OPRD1OPRK1
Oxalic Acid SCHEMBL7908190 0.78 C5AR1 (0.54) SLC18A3LMNAC5AR1OPRM1TSHR
SCHEMBL786060 0.75 C5AR1 (0.50) SLC18A3LMNAC5AR1KDM4ENPSR1

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
US-4360531-A Substituted cycloalkanes THE UPJOHN COMPANY (US) 1982-11-23 US disclosed