SCHEMBL14276384

SCHEMBL14276384

CC1(C)C[C@H]1c1cccc2c1CCO2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.50
SLC9A5 Q14940 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
MTNR1B P49286 2/20 0.45
KIF11 P52732 1/20 0.39
DRD2 P14416 8/20 0.37
HTR2A P28223 8/20 0.37
DRD3 P35462 8/20 0.37
MTNR1A P48039 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
SCHEMBL6677973 0.75 DRD2 (0.49) SLC9A1SLC9A5SLC9A2MTNR1BDRD2
SCHEMBL8489075 0.75 MTNR1B (0.56) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
Methylamine SCHEMBL22076722 0.74 SLC9A1 (0.53) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
SCHEMBL19690310 0.74 SLC9A1 (0.46) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
SCHEMBL19699408 0.74 SLC9A1 (0.46) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
SCHEMBL17781855 0.74 SLC9A1 (0.46) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
SCHEMBL14276382 0.73 SLC9A1 (0.70) SLC9A1SLC9A5SLC9A2MTNR1BDRD2
SCHEMBL14276381 0.72 SLC9A1 (0.64) SLC9A1SLC9A5SLC9A2MTNR1BDRD2
SCHEMBL8489071 0.71 SLC9A1 (0.53) SLC9A1SLC9A5SLC9A2MTNR1BKIF11
SCHEMBL19226925 0.71 MTNR1B (0.66) SLC9A1SLC9A5SLC9A2MTNR1BDRD2

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-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed