SCHEMBL27680558

SCHEMBL27680558

Nc1c(C(F)(F)F)cc(Cl)c(CO)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.41
ADRB1 P08588 1/20 0.41
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
IDO1 P14902 2/20 0.33
NOTUM Q6P988 2/20 0.33
NPFFR2 Q9Y5X5 3/20 0.33
NPFFR1 Q9GZQ6 2/20 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
SCHEMBL8830349 0.83 NOTUM (0.35) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL7958450 0.75 KDM4E (0.38) NOTUM
SCHEMBL3379043 0.73 NOTUM (0.39) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL3311587 0.73 ADRB2 (0.49) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL23195693 0.72 NOTUM (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22106240 0.70 HSD17B10 (0.38) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL27680544 0.70 ADRB2 (0.37) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL10616182 0.69 ALDH1A1 (0.39) ADRB2ADRB1HTR3EHTR3BHTR3A
SCHEMBL319759 0.69 ALDH1A1 (0.42)
SCHEMBL3317064 0.69 KIF11 (0.43) ADRB2ADRB1IDO1

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
CN-86108643-A Insecticidal method using N-phenylpyrazoles 1987-07-29 CN disclosed