SCHEMBL874600

SCHEMBL874600

C#CCO/N=C/Cc1cccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PDE8B O95263 1/20 0.32
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 2/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KDR P35968 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
SCHEMBL526379 0.72 CCR1 (0.39) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL526380 0.72 CCR1 (0.39) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL2010535 0.67 CCR1 (0.44) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL882611 0.67 HSP90AA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL4562212 0.67 HSP90AA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL16097320 0.66 MAPT (0.39) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL17429701 0.66 CCR1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL247492 0.66 SMN1; SMN2 (0.44) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL13879249 0.64 NOS2 (0.43) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL27921519 0.64 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed