SCHEMBL8545799

SCHEMBL8545799

CC(C)(N)Cn1cc2c(n1)-c1c(nc3ccccc3c1N)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
BCHE P06276 7/20 0.43
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL8544321 0.86 BCHE (0.46) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8545346 0.84 BCHE (0.44) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8543400 0.83 BCHE (0.44) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8545486 0.83 MEN1 (0.48) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8542106 0.83 ACHE (0.45) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8545791 0.82 IGF1R (0.42) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8549310 0.81 ADORA2A (0.44) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8545134 0.81 KDM4E (0.50) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8547014 0.81 ACHE (0.44) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL8543857 0.81 ACHE (0.44) ACHEBCHEKDM4EALDH1A1HSD17B10

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-0560231-B1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP disclosed