Butylamine

Butylamine

SCHEMBL9405028

CCCCN.CCCCN.N#CCOP(=O)(O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR2 Q9HBW0 3/20 0.44
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
GABRR1 P24046 1/20 0.44
FDPS P14324 2/20 0.36
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
SMPD1 P17405 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL4670278 0.80
Ammonia Solution, Strong SCHEMBL3330065 0.78
Potassium Ion SCHEMBL5807703 0.78 TPI1 (0.34) LPAR3LPAR1LPAR2FDPS
Phosphoric Acid SCHEMBL7714297 0.78 TPI1 (0.34) LPAR3LPAR1LPAR2FDPS
Ammonia Solution, Strong SCHEMBL4523855 0.78 TPI1 (0.34) LPAR3LPAR1LPAR2FDPS
SCHEMBL6794240 0.78 TPI1 (0.34) LPAR3LPAR1LPAR2FDPS
Ammonia Solution, Strong SCHEMBL10847788 0.78 TPI1 (0.34) LPAR3LPAR1LPAR2FDPS
Phosphorylethanolamine SCHEMBL29903209 0.77 LPAR3 (0.61) LPAR3LPAR1LPAR2GABBR2GABBR1
Butylamine SCHEMBL28267379 0.77 GABBR2 (0.54) GABBR2GABBR1GABRR1FDPSCYP1A2
SCHEMBL4892596 0.76 LPAR3 (0.35) LPAR3LPAR1LPAR2FDPS

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
US-5310559-A Device for controlled release and delivery to mammalian tissue of pharmacologically active agents incorporating a rate controlling member which comprises an alkylene-alkyl acrylate copolymer HERCON LABORATORIES CORPORATION (US) 1994-05-10 US disclosed