SCHEMBL20399751

SCHEMBL20399751

CN(C)C[C@H]1CN(C(=O)O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.34
OPRD1 P41143 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.31
HSP90AA1 P07900 1/20 0.31
METAP1 P53582 3/20 0.31
CCR6 P51684 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
SCHEMBL20399786 1.00 OPRK1 (0.34) OPRK1OPRD1KDM4EMITFHSP90AA1
SCHEMBL21528222 0.80 JAK2 (0.42) KDM4E
SCHEMBL28196771 0.77 POLB (0.33)
SCHEMBL12142325 0.76 METAP1 (0.33) MITFHSP90AA1METAP1CCR6
SCHEMBL3169586 0.74 FAAH (0.42)
SCHEMBL9052963 0.72 TACR3 (0.43) KDM4E
SCHEMBL15352654 0.72 TACR3 (0.43) KDM4E
SCHEMBL21081462 0.72 LMNA (0.35)
SCHEMBL22634130 0.72 LMNA (0.35)
SCHEMBL504706 0.72 LMNA (0.35)

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
WO-2018136546-A1 SUBSTITUTED 3-DIALKYLAMINOMETHYL-PIPERIDIN-4-YL-BENZAMIDES AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-07-26 WO disclosed