SCHEMBL9575326

SCHEMBL9575326

c1ccc(CCCC2=NCCN2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.80
MAOA P21397 3/20 0.80
MAOB P27338 3/20 0.80
TAAR1 Q96RJ0 3/20 0.69
LMNA P02545 2/20 0.66
CYP1A2 P05177 2/20 0.66
ADRA2A P08913 2/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
ADRA2C P18825 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA2B P18089 1/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1B P35368 1/20 0.66
HIF1A Q16665 1/20 0.58
HTR1D P28221 2/20 0.55
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
PDE6A P16499 1/20 0.55
MC4R P32245 1/20 0.55

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
Phenyzoline SCHEMBL3172677 0.89 NISCH (1.00) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL7518582 0.88 NISCH (0.67) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL17350092 0.84 MAOA (0.57) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL12495025 0.83 RAD52 (0.57) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL5350249 0.83 NISCH (0.56) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL23097221 0.83 HTR1D (0.60) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL9575185 0.82 NISCH (0.55) NISCHMAOAMAOBTAAR1LMNA
SCHEMBL3168522 0.82 NISCH (0.73) NISCHMAOAMAOBTAAR1LMNA
Tolazoline SCHEMBL34869 0.81 TAAR1 (1.00) NISCHMAOAMAOBTAAR1LMNA
Tolazoline SCHEMBL5053858 0.81 TAAR1 (1.00) NISCHMAOAMAOBTAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183369-A1 NEURITE OUTGROWTH PROMOTERS AND USES THEREOF UNIVERSITY OF MIAMI (US) 2019-09-26 WO disclosed
EP-0331507-B1 POLYVINYL CHLORIDE PLASTISOL COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-05-19 EP disclosed
US-4977201-A Blended with modified epoxy resin, blocked isocyanate, latent curing for resin as tackifier, automobile undercoatings ASAHI DENKA KOGYO K.K. (JP) 1990-12-11 US disclosed
EP-0331507-A1 Polyvinyl chloride plastisol composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed