SCHEMBL8810482

SCHEMBL8810482

CN(C)CCCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.84
ADRA1A P35348 3/20 0.84
KDM4E B2RXH2 1/20 0.84
GUCY1B2 O75343 1/20 0.84
CYP1A2 P05177 1/20 0.84
CHRM2 P08172 1/20 0.84
HTR1A P08908 1/20 0.84
ADRA2A P08913 1/20 0.84
CYP2D6 P10635 1/20 0.84
CHRM1 P11229 1/20 0.84
DRD1 P21728 1/20 0.84
SLC6A2 P23975 1/20 0.84
SLC6A4 P31645 1/20 0.84
GUCY1A2 P33402 1/20 0.84
OPRM1 P35372 1/20 0.84
DRD3 P35462 1/20 0.84
SLC6A3 Q01959 1/20 0.84
GUCY1A1 Q02108 1/20 0.84
GUCY1B1 Q02153 1/20 0.84
KCNH2 Q12809 1/20 0.84

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
Benzydamine SCHEMBL26172 0.91 HRH3 (1.00) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
Benzydamine SCHEMBL29376229 0.91 HRH3 (1.00) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
Benzydamine SCHEMBL42644 0.90 POLB (1.00) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
Benzydamine SCHEMBL42645 0.90 POLB (1.00) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
Benzydamine SCHEMBL8078518 0.90 HRH3 (0.97) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
SCHEMBL8808522 0.89 KDM4E (0.82) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
Benzydamine SCHEMBL1648787 0.89 HRH3 (0.95) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
SCHEMBL8811323 0.88 DRD3 (0.66) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
SCHEMBL8018576 0.88 KDM4E (0.93) HRH3ADRA1AKDM4EGUCY1B2CYP1A2
SCHEMBL13186698 0.85 CYP1A2 (0.60) HRH3ADRA1AKDM4EGUCY1B2CYP1A2

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed