SCHEMBL7901895

SCHEMBL7901895

CC(C)(C)OC(=O)N1CCCC(C2Cc3ccccc3N2CC#N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
KDM1A O60341 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 2/20 0.40
HTR6 P50406 3/20 0.40
BCHE P06276 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACKR3 P25106 1/20 0.40
NAMPT P43490 1/20 0.39
HPGDS O60760 1/20 0.38

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
SCHEMBL7896651 0.87 PRMT5 (0.44) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL7900007 0.82 USP30 (0.44) PRMT5WDR77KDM1AJAK2JAK1
SCHEMBL5213286 0.71 HDAC11 (0.47) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL5880343 0.71 HDAC11 (0.47) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL7897488 0.71 USP30 (0.42) MEN1ALDH1A1MAPTKMT2AKDM1A
SCHEMBL7893412 0.71 ALOX5AP (0.39) PRMT5WDR77KDM1AJAK2JAK1
SCHEMBL5849071 0.71 MAPK1 (0.52) PRMT5WDR77GPR119CHRM2CHRM4
SCHEMBL7901892 0.70 MAPK1 (0.49) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL31364851 0.70 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL23697540 0.70 PRMT5 (0.51) PRMT5WDR77KDM1AUSP30HTR6

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed