SCHEMBL6969060

SCHEMBL6969060

Cc1c(N(Cc2cccc(C#N)c2)C(=O)CNC(=O)O)cnn1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
NR3C1 P04150 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CCR5 P51681 2/20 0.36
VNN1 O95497 1/20 0.35
KLKB1 P03952 2/20 0.35
KLK1 P06870 1/20 0.35
IDH1 O75874 1/20 0.34
PTGES O14684 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL6972441 0.89 ALDH1A1 (0.43) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6968547 0.88 ALDH1A1 (0.42) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6964408 0.86 ALDH1A1 (0.43) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6973145 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6973013 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6971488 0.84 ADAMTS4 (0.39) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6960549 0.83 MAPT (0.38) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6971574 0.80 IL1RN (0.38) ALDH1A1MAPTNR3C1PTGES
SCHEMBL6967041 0.79 ALDH1A1 (0.45) ALDH1A1MAPTMEP1AMEP1BNR3C1
SCHEMBL6967044 0.78 MAPT (0.45) ALDH1A1MAPTMEP1AMEP1BNR3C1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed