SCHEMBL3634247

SCHEMBL3634247

CCC(=Nc1cc(C)c(Oc2ccccc2)cc1C)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 2/20 0.35
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL18919551 0.80 LMNA (0.41) DHODHLMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4378588 0.76 HTR2A (0.40) SLC6A4HTR2ADHODHLMNAL3MBTL1
SCHEMBL28641251 0.75 TSPO (0.36) SLC6A4CYP2D6SLC6A2SLC6A3LMNA
SCHEMBL28455987 0.74 NOS3 (0.36) SLC6A4CYP2D6SLC6A2SLC6A3LMNA
SCHEMBL4439450 0.72 CYP2C9 (0.35) SLC6A4CYP2D6SLC6A2SLC6A3KCNH2
SCHEMBL18919550 0.70 LTA4H (0.35) CYP2D6MAPTL3MBTL1POLBATM
SCHEMBL28641252 0.69 SMN1; SMN2 (0.37) SLC6A4CYP2D6SLC6A2SLC6A3LMNA
SCHEMBL31258559 0.69 LMNA (0.44) LMNAMAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL15649015 0.68 SMN1; SMN2 (0.36) SLC6A4CYP2D6SLC6A2SLC6A3HTR2A
SCHEMBL2685504 0.68 SMN1; SMN2 (0.36) SLC6A4CYP2D6SLC6A2SLC6A3HTR2A

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-2146975-A1 THIADIAZOLYL OXYPHENYL AMIDINES AND THE USE THEREOF AS A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2010-01-27 EP disclosed
EP-2136629-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
WO-2008128639-A1 THIADIAZOLYL OXYPHENYL AMIDINES AND THE USE THEREOF AS A FUNGICIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-10-30 WO disclosed
WO-2008110313-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed