Butylamine

Butylamine

SCHEMBL6904543

CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CCCCN.[Ni+2]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR2 P34972 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KIF11 P52732 1/20 0.30

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
SCHEMBL27989149 0.84 SHBG (0.59) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Butylamine SCHEMBL6904541 0.84 CNR2 (0.48) CNR2
Butylamine SCHEMBL27461778 0.82 SHBG (0.70) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Butylamine SCHEMBL7759176 0.82 SHBG (0.70) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Butylamine SCHEMBL28296259 0.81 SHBG (0.68) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Butylamine SCHEMBL27780646 0.81 SHBG (0.68) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Potassium Ion SCHEMBL10521541 0.80 SHBG (0.59) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL10736138 0.80 SHBG (0.59) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Butylamine SCHEMBL543515 0.79 SHBG (0.34) SHBGCYP3A4CYP2D6HIF1ACNR2
Butylamine SCHEMBL28669657 0.78 SMN1; SMN2 (0.45) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084183-B1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL EUROP (CH) 2004-06-16 EP claimed
EP-1084183-B1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL EUROP (CH) 2004-06-16 EP disclosed
EP-1084183-A1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION Great Lakes Chemical (Europe) GmbH (CH) 2001-03-21 EP disclosed
EP-1084183-A1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION Great Lakes Chemical (Europe) GmbH (CH) 2001-03-21 EP disclosed
WO-1999052977-A1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-10-21 WO disclosed
WO-1999052977-A1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-10-21 WO disclosed
EP-0002347-B1 NEUTRALISED SULFONATED ELASTOMERIC COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-11-18 EP disclosed
EP-0002347-A1 Neutralised sulfonated elastomeric compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1979-06-13 EP disclosed
US-4157992-A NEUTRALIZED SULFONATED ELASTOMER, INORGANIC FILLER, PROCESS OIL, CARBON BLACK, CARBOXYLIC ACID AND SALT AS PLASTICIZERS; MOLDING MATERIALS EXXON RESEARCH & ENGINEERING CO. (US) 1979-06-12 US disclosed