Benzylamine

Benzylamine

SCHEMBL9879869

C=CCC(CCCCCCCCCC)C(N)=O.NCc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.42
CNR2 P34972 1/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP2 P08253 9/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
TLR2 O60603 1/20 0.41
EPHX2 P34913 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
SCHEMBL28209930 0.84 CA2 (0.53)
SCHEMBL4019615 0.84 CA2 (0.53)
SCHEMBL27448303 0.84 CA2 (0.53)
SCHEMBL4013782 0.84 CA2 (0.53)
SCHEMBL30197469 0.84 CA2 (0.53)
SCHEMBL10441902 0.84 CA2 (0.53)
SCHEMBL28373909 0.82 CA2 (0.52)
SCHEMBL1729663 0.81 CNR2 (0.50) CNR2HDAC8HDAC3HDAC6HDAC1
SCHEMBL30444595 0.80 S1PR2 (0.50) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL27029539 0.80 S1PR2 (0.50) CSNK1ECNR2MMP2MMP1MMP3

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-5068064-A Antiseptics, microbiocides or antiseptics SANOFI (FR) 1991-11-26 US disclosed