SCHEMBL4793792

SCHEMBL4793792

C=CCN1CCCC[C@H]1[C@@H](N)c1cccc(-c2cnn(C(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.34
JAK2 O60674 1/20 0.34
FLT3 P36888 1/20 0.34
CREBBP Q92793 3/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ABL1 P00519 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
RIN1 Q13671 1/20 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
SCHEMBL4780899 0.90 IRAK1 (0.39) CREBBPPFKFB3
SCHEMBL4781926 0.85 PIK3CD (0.35) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL4781736 0.83 OPRD1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4776163 0.82 OPRD1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4778028 0.82 OPRD1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8220552 0.82 OPRD1 (0.46) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL4778904 0.82 OPRD1 (0.46) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL4796605 0.79 IDO1 (0.39) OPRM1OPRD1OPRK1OPRL1GSK3B
SCHEMBL4794937 0.79 IDO1 (0.39) OPRM1OPRD1OPRK1OPRL1GSK3B
SCHEMBL4781704 0.77 CREBBP (0.35) BRD4CREBBPOPRD1GSK3BDYRK1A

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed