SCHEMBL9852678

SCHEMBL9852678

C[CH]c1c(Cl)cc(C(F)(F)F)c(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.38
ADRB1 P08588 1/20 0.38
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
NPFFR2 Q9Y5X5 3/20 0.33
NPFFR1 Q9GZQ6 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.30
IDO1 P14902 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
SCHEMBL9852676 0.79 P2RX7 (0.31) RAPGEF4
SCHEMBL3379043 0.73 NOTUM (0.39) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL27680544 0.70 ADRB2 (0.37) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL10093727 0.69 ADRB2 (0.45) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL8603406 0.69 ADRB2 (0.34) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL3240959 0.69 ADRB2 (0.44) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL10616182 0.69 ALDH1A1 (0.39) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL2434618 0.69 CYP3A4 (0.56) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL27680558 0.68 ADRB2 (0.41) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL21603537 0.67 ADRB2 (0.43) ADRB2ADRB1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed