SCHEMBL5685307

SCHEMBL5685307

Nc1ccc(CCC(N)c2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP19A1 P11511 4/20 0.41
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHKA P35790 1/20 0.35

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
SCHEMBL6575874 0.80 TAAR1 (0.48) MAOBALDH1A1TSHRTDP1LOXL2
SCHEMBL6432692 0.80 ANPEP (0.50) MAOBMAOAALDH1A1LOXL2
SCHEMBL18789292 0.77 GFER (0.65) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL5924988 0.76 ANPEP (0.50) LOXL2
SCHEMBL855071 0.76 ANPEP (0.50) LOXL2
SCHEMBL8067078 0.76 ANPEP (0.50) LOXL2
SCHEMBL2371135 0.76 GFER (0.56) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL10194399 0.76 GRM8 (0.37) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL93691 0.76 GRM8 (0.37) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7134261 0.76 SLC2A1 (0.43) GFERALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300134-B1 Agent for dyeing keratinous fibres with isophthalaldehydes HENKEL KGAA (DE) 2006-04-26 EP claimed