SCHEMBL7302713

SCHEMBL7302713

NCCc1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 2/20 0.56
HRH3 Q9Y5N1 6/20 0.52
PDE3B Q13370 5/20 0.49
PDE3A Q14432 5/20 0.49
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
AKT2 P31751 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8114174 0.89 MAPT (0.74) MAPTLMNAMEN1KMT2ACYP1A2
Bromide SCHEMBL8108897 0.89 MAPT (0.69) MAPTLMNAMEN1KMT2ACYP1A2
Bromide SCHEMBL8100497 0.88 MAPT (0.72) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL10353474 0.83 MAPT (0.80) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL1640658 0.83 MAPT (0.66) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL3452908 0.82 LMNA (0.80) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL1392640 0.80 LMNA (0.67) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL25935974 0.79 MAPT (0.69) MAPTLMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7316011 0.79 LMNA (0.65) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL9815929 0.78 MAPT (0.97) MAPTLMNAMEN1KMT2ACYP1A2

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