SCHEMBL21089246

SCHEMBL21089246

CC(C)(C)OC(=O)CCN1CCC2(CC1)CC(N(C(=O)C(F)(F)F)C1CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.33
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DRD2 P14416 3/20 0.31
GPR119 Q8TDV5 4/20 0.31
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL20106757 0.80 GPR119 (0.44) GPR119
SCHEMBL20527373 0.76 KDM1A (0.46)
SCHEMBL18182131 0.76 KDM1A (0.46)
SCHEMBL18173270 0.76 KDM1A (0.46)
SCHEMBL20527370 0.76 KDM1A (0.46)
SCHEMBL21088467 0.75 CNR1 (0.37) CACNA1HCNR1SMN1; SMN2DRD2ALDH1A1
SCHEMBL21088978 0.75 KDM4E (0.34) TSHR
SCHEMBL20106740 0.74 GPR119 (0.40) GPR119
SCHEMBL21089309 0.73 CTSK (0.34) CYP11B1CYP11B2GPR119
SCHEMBL21101008 0.73 SMN1; SMN2 (0.34) CNR1SMN1; SMN2ALDH1A1TSHR

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed