Butylamine

Butylamine

SCHEMBL8587476

CCCCN.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.33
MAOA P21397 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KIF11 P52732 2/20 0.32
DNM1 Q05193 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL201905 0.79 ALDH1A1 (0.35) ALDH1A1
Octane SCHEMBL18395350 0.75 DNM1 (0.44) DNM1MEN1KMT2ATSHR
Biphenyl SCHEMBL9641413 0.75 TAAR1 (0.46) TLR8MAOAHTR2AHRH1DNM1
Octane SCHEMBL23754774 0.73 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1
SCHEMBL10434550 0.73 LTA4H (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10357730 0.72 TP53 (0.41) ALDH1A1TSHR
SCHEMBL28470632 0.71 TSHR (0.34) HTR2AMEN1KMT2AALDH1A1TSHR
Butylamine SCHEMBL627676 0.70 DNM1 (0.39) DNM1ALDH1A1TSHR
SCHEMBL134412 0.70 ACHE (0.42) MAOAMEN1KMT2AALDH1A1TSHR
Benzene SCHEMBL3889446 0.69 DNM1 (0.59) HTR2ADNM1MEN1KMT2AALDH1A1

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-1998052977-A1 PROCESS FOR THE POLYMERIZATION OF α-OLEFINS DSM N.V. (NL) 1998-11-26 WO disclosed