SCHEMBL24060922

SCHEMBL24060922

O[C@H]1CCN[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
KCNH2 Q12809 1/20 0.36
PRCP P42785 1/20 0.36
CA1 P00915 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 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
SCHEMBL22473286 1.00 KDM1A (0.37) KDM1AKCNH2PRCPCA1TSHR
SCHEMBL2708040 1.00 KDM1A (0.37) KDM1AKCNH2PRCPCA1TSHR
SCHEMBL12980157 1.00 KDM1A (0.37) KDM1AKCNH2PRCPCA1TSHR
SCHEMBL6121504 1.00 KDM1A (0.37) KDM1AKCNH2PRCPCA1TSHR
SCHEMBL2708049 1.00 KDM1A (0.37) KDM1AKCNH2PRCPCA1TSHR
Hydrochloric Acid SCHEMBL2708312 0.98 KDM1A (0.39) KDM1AKCNH2PRCPCA1TSHR
SCHEMBL3943919 0.82 HTR3A (0.41) KDM1APRCPSLC6A3
SCHEMBL13744292 0.81 SLC18A3 (0.39) PRCP
SCHEMBL5054915 0.81 SLC18A3 (0.39) PRCP
SCHEMBL24365527 0.81 SLC18A3 (0.39) PRCP

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
EP-3601273-B1 4-PIPERIDIN-N-(PYRIMIDIN-4-YL)CHROMAN-7-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS GENENTECH INC (US) 2021-12-01 EP disclosed