SCHEMBL7822340

SCHEMBL7822340

C=CCOc1nn(Cc2cccc(N)c2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.53
▸ CNR1 P21554 8/20 0.53
▸ ACHE P22303 5/20 0.53
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GUCY1B2 O75343 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ GUCY1A2 P33402 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ GUCY1A1 Q02108 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
SCHEMBL12913014 0.86 CNR2 (0.70) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL8043123 0.85 CNR2 (0.74) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL7815982 0.81 CNR2 (0.57) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL7818113 0.80 CNR1 (0.56) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL12913013 0.74 CNR2 (0.45) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL7808303 0.73 CNR2 (0.51) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL12946210 0.72 CNR2 (0.50) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL12913017 0.71 CNR2 (0.42) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL27944549 0.71 PTGER4 (0.49) CNR2CNR1ACHECYP1A2CYP2D6
SCHEMBL7808408 0.71 CNR2 (0.45) CNR2CNR1ACHECYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-A1 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 ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 — — EP disclosed
WO-1999058503-A1 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 ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 — — WO disclosed
Send feedback