SCHEMBL7306800

SCHEMBL7306800

NCCOc1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
LMNA P02545 2/20 0.60
KCNH2 Q12809 2/20 0.57
CHRM2 P08172 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR3A P46098 1/20 0.57
SLC6A3 Q01959 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.51
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAPT P10636 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
Bromide SCHEMBL8110043 0.91 HRH3 (0.63) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL8791883 0.91 HRH3 (0.63) HRH3LMNAKCNH2CHRM2SLC6A2
Bromide SCHEMBL8100697 0.90 HRH3 (0.62) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10196775 0.85 HRH3 (0.66) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10963711 0.85 LMNA (0.65) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL3604079 0.85 HRH3 (0.66) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL7298657 0.83 CYP1A2 (0.50) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10969675 0.81 LMNA (0.69) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL9815940 0.81 MAPT (0.64) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10967350 0.81 LMNA (0.60) HRH3LMNAKCNH2CHRM2SLC6A2

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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed