SCHEMBL9709964

SCHEMBL9709964

[CH2]CN(Cc1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.50
CHRM2 P08172 3/20 0.50
ADRA2A P08913 3/20 0.50
DRD1 P21728 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
KCNH2 Q12809 3/20 0.50
SLC6A2 P23975 2/20 0.50
ADRA1A P35348 2/20 0.50
HTR2A P28223 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
OPRK1 P41145 1/20 0.50
CYP2D6 P10635 3/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL9709697 0.87 CHRM2 (0.64) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL9709954 0.84 CHRM2 (0.50) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL7289564 0.84 CYP2D6 (0.68) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL14813383 0.82 SSTR4 (0.58) SSTR4CHRM2ADRA2ADRD1SLC6A4
SCHEMBL8386885 0.81 CHRM2 (0.78) SSTR4CHRM2ADRA2ADRD1SLC6A4
SCHEMBL7418708 0.80 GBA1 (0.67) SSTR4CHRM2ADRA2ADRD1SLC6A4
SCHEMBL28590382 0.76 CHRM2 (0.72) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL7424165 0.74 SSTR4 (0.54) SSTR4CHRM2ADRA2ADRD1SLC6A4
SCHEMBL14813385 0.72 MEN1 (0.43) SSTR4CHRM2ADRA2ADRD1SLC6A4
SCHEMBL7311717 0.71 CYP2D6 (0.68) CHRM2ADRA2ADRD1SLC6A4SLC6A3

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
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO claimed
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO disclosed