SCHEMBL5317680

SCHEMBL5317680

Oc1ccc(N2CCNCC2)c(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.53
▸ EPHX2 P34913 1/20 0.47
▸ HTR1A P08908 1/20 0.44
▸ PLD1 Q13393 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ NCF1 P14598 3/20 0.42
▸ ADRB2 P07550 3/20 0.40
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRB1 P08588 2/20 0.39

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
SCHEMBL5317683 0.78 SCN9A (0.52) HTR7EPHX2HTR1APLD1SCN9A
SCHEMBL3094143 0.72 HTR7 (0.62) HTR7HTR1APLD1NCF1ADRB2
SCHEMBL5526744 0.70 HTR7 (1.00) HTR7HTR1APLD1NCF1ADRB2
SCHEMBL7863591 0.69 HTR7 (0.64) HTR7HTR1APLD1SMARCA2SMARCA4
SCHEMBL5799177 0.68 EPHX2 (0.49) HTR7EPHX2HTR1APLD1HTR2C
SCHEMBL9069333 0.67 HTR7 (0.59) HTR7HTR1APLD1HTR2AHTR2C
SCHEMBL26086904 0.67 EPHX2 (0.63) HTR7EPHX2HTR1APLD1NCF1
SCHEMBL14060585 0.66 HTR7 (0.70) HTR7EPHX2HTR1APLD1HTR2C
Pyridine SCHEMBL28146204 0.66 ADRB2 (0.42) HTR7EPHX2HTR1APLD1NCF1
SCHEMBL5800530 0.66 EPHX2 (0.50) HTR7EPHX2HTR1APLD1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805152-A2 INSECTICIDAL 3-(DIHALOALKENYL) PHENYL DERIVATIVES Bayer CropScience AG (DE) 2007-07-11 — — EP disclosed
WO-2006047438-A2 INSECTICIDAL 3-(DIHALOALKENYL) PHENYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-05-04 — — WO disclosed
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