SCHEMBL9525316

SCHEMBL9525316

CCC(N)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SOS1 Q07889 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SLC2A1 P11166 1/20 0.38
HSPB1 P04792 1/20 0.38
AOC3 Q16853 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
SCN4A P35499 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1728781 0.88 SLC6A4 (0.57) SLC6A4IDO1TDO2AOC3
SCHEMBL1239407 0.88 SLC6A4 (0.57) SLC6A4IDO1TDO2AOC3
SCHEMBL1364755 0.88 SLC6A4 (0.57) SLC6A4IDO1TDO2AOC3
Hydrochloric Acid SCHEMBL2833581 0.86 SLC6A4 (0.55) SLC6A4IDO1TDO2SLC2A1AOC3
SCHEMBL12261552 0.83 LTA4H (0.52) SLC6A4SCN4A
SCHEMBL9205809 0.82 SLC6A4 (0.44) SLC6A4CYP1A2CYP2D6CYP2C19SLC2A1
SCHEMBL12808430 0.79 ALDH1A1 (0.49) SOS1NPSR1HSPB1HPGDMEN1
SCHEMBL9473970 0.79 SLC6A4 (0.79) SLC6A4CYP1A2CYP2D6CYP2C19NPSR1
SCHEMBL16649847 0.79 SOS1 (0.46) SOS1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL4380562 0.79 SOS1 (0.46) SOS1CYP1A2CYP2D6CYP2C19IDO1

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-0264217-B1 ARALKYLAMINOPYRIMIDINE DERIVATIVE, PROCESS FOR PRODUCING THEREOF AND INSECTICIDE, ACARICIDE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT UBE INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed
EP-0264217-A2 Aralkylaminopyrimidine derivative, process for producing thereof and insecticide, acaricide and fungicide containing said derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 1988-04-20 EP disclosed