SCHEMBL27201130

SCHEMBL27201130

CCN(C)C=Nc1cc(C)c(Cc2cccc(C)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MPO P05164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
DAO P14920 1/20 0.32
IDO1 P14902 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ENPP1 P22413 1/20 0.30
SLC5A2 P31639 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
SCHEMBL27201127 0.89 CYP3A4 (0.36) CYP3A4ADRA2AMPOTAAR1RAB9A
SCHEMBL27201140 0.89 CYP3A4 (0.36) CYP3A4ADRA2AMPOTAAR1
SCHEMBL27201176 0.89 CYP3A4 (0.33) CYP3A4ADRA2AMPOTAAR1
SCHEMBL27201128 0.89 CYP3A4 (0.36) CYP3A4ADRA2AMPOTAAR1
SCHEMBL27201066 0.89 TAAR1 (0.38) CYP3A4ADRA2ATAAR1ENPP1
SCHEMBL23613804 0.88 LDHA (0.35) CYP3A4ADRA2ANPC1RAB9A
SCHEMBL30894762 0.88 LDHA (0.35) CYP3A4ADRA2ANPC1RAB9A
SCHEMBL21495237 0.88 TAAR1 (0.37) CYP3A4ADRA2ATAAR1NPC1ENPP1
SCHEMBL21495238 0.88 TAAR1 (0.37) CYP3A4ADRA2ATAAR1NPC1ENPP1
SCHEMBL27201122 0.88 TAAR1 (0.37) CYP3A4ADRA2ATAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525588-B1 4-SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2024-04-24 EP claimed
CN-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN claimed
CN-109843056-A 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms 印度商皮埃企业有限公司 2019-06-04 CN disclosed