SCHEMBL6973836

SCHEMBL6973836

COc1ccc2c(c1)c(OCCOc1ccc(N)cc1)nn2Cc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.54
CNR1 P21554 5/20 0.54
ACHE P22303 3/20 0.54
PLA2G2A P14555 2/20 0.43
ABHD6 Q9BV23 2/20 0.43
KDM4E B2RXH2 1/20 0.40
GUCY1B2 O75343 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GUCY1A2 P33402 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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
Hydrochloric Acid SCHEMBL6968039 0.99 CNR2 (0.53) CNR2CNR1ACHEPLA2G2AABHD6
SCHEMBL6971046 0.90 CNR1 (0.45) CNR2CNR1ACHEPLA2G2AABHD6
SCHEMBL6974448 0.85 CNR1 (0.48) CNR2CNR1ACHEPLA2G2AKDM4E
SCHEMBL6973326 0.80 CNR2 (0.58) CNR2CNR1ACHEPLA2G2AABHD6
SCHEMBL6979571 0.78 CNR2 (0.56) CNR2CNR1ACHEPLA2G2AABHD6
SCHEMBL6968297 0.77 CNR2 (0.49) CNR2CNR1ACHEPLA2G2AABHD6
SCHEMBL6978209 0.76 CNR1 (0.49) CNR2CNR1ACHEKDM4EGUCY1B2
SCHEMBL6978241 0.74 CNR2 (0.49) CNR2CNR1ACHEPLA2G2APTGER4
SCHEMBL6975679 0.74 CNR2 (0.49) CNR2CNR1ACHEPLA2G2AALDH1A1
SCHEMBL6975035 0.73 PLA2G2A (0.43) CNR2CNR1ACHEPLA2G2AABHD6

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-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed