SCHEMBL7187149

SCHEMBL7187149

NC(CCc1ccncc1)CCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.56
HRH1 P35367 2/20 0.48
AKT1 P31749 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERAP2 Q6P179 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ANPEP P15144 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
HIF1A Q16665 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL1678495 0.87 LOXL2 (0.48) LOXL2HRH1AKT1ALDH1A1HRH3
SCHEMBL10910996 0.82 LOXL2 (0.44) LOXL2HRH1AKT1ALDH1A1ERAP2
SCHEMBL31223729 0.82 LOXL2 (0.52) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL22229846 0.82 LOXL2 (0.52) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL1677867 0.82 LOXL2 (0.52) LOXL2HRH1CYP1A2CYP3A4CYP2D6
Bromide SCHEMBL18191799 0.80 LOXL2 (0.50) LOXL2HRH1CYP1A2CYP3A4CYP2D6
Hydrazine SCHEMBL2567860 0.79 LOXL2 (0.48) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL19090267 0.79 LOXL2 (0.48) LOXL2HRH1AKT1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8535371 0.77 LOXL2 (0.47) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL28174568 0.77 LOXL2 (0.47) LOXL2HRH1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP disclosed
EP-0946190-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-10-06 EP disclosed
WO-1998020891-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO disclosed