SCHEMBL14733144

SCHEMBL14733144

C#CCO/N=C(\C)c1cccc(CCCc2cc(C)nc(-c3cccc(C)n3)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32
FFAR1 O14842 14/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL14733143 0.91 CCR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14733133 0.86 FFAR1 (0.36) TGFBR1FFAR1
SCHEMBL5020347 0.83 TGFBR1 (0.36) TGFBR1FFAR1
SCHEMBL10273700 0.82 HSP90AA1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5020443 0.80 HSP90AA1 (0.35) TGFBR1FFAR1
SCHEMBL14733136 0.80
SCHEMBL4562212 0.79 HSP90AA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL882611 0.79 HSP90AA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5020348 0.78 TGFBR1 (0.34) TGFBR1FFAR1
SCHEMBL5020364 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4

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-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed