Butylamine

Butylamine

SCHEMBL5808043

CC(C=CC(=O)NCC(C)C)=Cc1ccc2c(c1)OCO2.CC(C=CC(=O)O)=Cc1ccc2c(c1)OCO2.CCCCN

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
SOAT1 P35610 1/20 0.53
FAAH O00519 1/20 0.52
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
Butyramide SCHEMBL5808040 0.89 TRPV1 (0.56) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5495380 0.87 TRPV1 (0.71) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5495385 0.87 TRPV1 (0.71) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5487518 0.80 ALDH1A1 (0.60) TRPV1KDM4EALDH1A1HPGDGAA
SCHEMBL5487521 0.80 ALDH1A1 (0.60) TRPV1KDM4EALDH1A1HPGDGAA
SCHEMBL5814394 0.79 ALDH1A1 (0.43) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5814387 0.79 ALDH1A1 (0.43) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5497181 0.78 ALDH1A1 (0.58) TRPV1KDM4EALDH1A1HPGDGAA
SCHEMBL5495789 0.78 TRPV1 (0.67) TRPV1SOAT1FAAHCNR2KDM4E
SCHEMBL5497176 0.78 ALDH1A1 (0.58) TRPV1KDM4EALDH1A1HPGDGAA

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
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO disclosed