SCHEMBL8544712

SCHEMBL8544712

Cn1cc2c(n1)-c1c(nc3ccccc3c1N)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.49
BCHE P06276 8/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC4 O15439 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
APP P05067 1/20 0.46
FABP1 P07148 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL8542931 0.86 ACHE (0.50) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8545346 0.84 BCHE (0.44) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8544321 0.84 BCHE (0.46) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8545486 0.83 MEN1 (0.48) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8542106 0.83 ACHE (0.45) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8545791 0.82 IGF1R (0.42) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8543400 0.81 BCHE (0.44) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8549310 0.81 ADORA2A (0.44) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8545799 0.80 ACHE (0.43) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8545801 0.80 BCHE (0.43) ACHEBCHEALDH1A1HSD17B10KDM4E

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 8 patents. 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 claimed
EP-0560231-A1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-09-15 EP claimed
US-5179100-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-01-12 US claimed
JP-6049067-A None JP disclosed
EP-0560231-B1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP disclosed
JP-H0649067-A 4,5-DIHYDROPYRAZOLO(3,4-A)ACRIDINES, PRODUCTION AND APPLICATION THEREOF AS MEDICINES HOECHST ROUSSEL PHARMACEUT INC 1994-02-22 JP disclosed
EP-0560231-A1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-09-15 EP disclosed
US-5179100-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-01-12 US disclosed