SCHEMBL21089309

SCHEMBL21089309

CN(CCC(=O)OC(C)(C)C)C1CCC(N(C(=O)C(F)(F)F)C2CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL25634890 0.87 EPHX2 (0.34) GPR119MLYCD
SCHEMBL21089281 0.79 MLYCD (0.36) CTSKCYP11B1CYP11B2GPR119MLYCD
SCHEMBL21089310 0.79 EPHX2 (0.33) MLYCD
SCHEMBL18183125 0.76 KDM1A (0.38)
SCHEMBL21089246 0.73 CACNA1H (0.33) CYP11B1CYP11B2GPR119
SCHEMBL15507268 0.70 GPR119 (0.55) GPR119
SCHEMBL13495422 0.69 CTSK (0.35) CTSKCYP11B1CYP11B2
SCHEMBL7585222 0.69 BTK (0.41) CTSK
SCHEMBL7585234 0.69 BTK (0.41) CTSK
SCHEMBL17271531 0.67 RECQL (0.45) GPR119

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