SCHEMBL9045495

SCHEMBL9045495

CCNCc1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRD1 P41143 8/20 0.45
OPRK1 P41145 5/20 0.45
KDM4E B2RXH2 1/20 0.41
P2RX3 P56373 7/20 0.41
CCR5 P51681 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
ROCK1 Q13464 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL25015682 0.84 ALDH1A1 (0.49) OPRM1OPRD1OPRK1KDM4EP2RX3
SCHEMBL14349927 0.83 P2RX3 (0.48) KDM4EP2RX3
SCHEMBL28471534 0.82 IL6 (0.46) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL8026494 0.80 L3MBTL1 (0.44) KDM4EP2RX3
SCHEMBL16839922 0.80 P2RX3 (0.49) OPRM1OPRD1OPRK1P2RX3GRIN2D
SCHEMBL9829679 0.79 L3MBTL1 (0.45) KDM4EP2RX3
SCHEMBL13181088 0.78 ALDH1A1 (0.52) OPRM1OPRD1OPRK1KDM4EP2RX3
SCHEMBL8019976 0.77 P2RX3 (0.48) OPRM1OPRD1OPRK1P2RX3
SCHEMBL9045204 0.77 MAOB (0.53) KDM4EP2RX3
SCHEMBL15014092 0.77 SMN1; SMN2 (0.50) KDM4EP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
CN-1031265-C Tetrahydropyrimidine-containing pest control compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-03-13 CN disclosed
CN-1102828-A Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-24 CN disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
CN-1042149-A Tetrahydropyrimidines, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-05-16 CN disclosed
EP-0366085-A2 Tetrahydropyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-02 EP disclosed