SCHEMBL5317683

SCHEMBL5317683

Oc1ccc(C(F)(F)F)c(-c2ccccn2)c1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.52
▸ EPHX2 P34913 1/20 0.50
▸ HTR7 P34969 2/20 0.47
▸ HTR1A P08908 1/20 0.44
▸ PLD1 Q13393 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NCF1 P14598 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RX7 Q99572 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
SCHEMBL5317680 0.78 HTR7 (0.53) SCN9AEPHX2HTR7HTR1APLD1
SCHEMBL5800530 0.71 EPHX2 (0.50) SCN9AEPHX2HTR7HTR1APLD1
SCHEMBL5799177 0.70 EPHX2 (0.49) EPHX2HTR7HTR1APLD1HTR2C
SCHEMBL11149934 0.70 SCN5A (0.37) SCN9ACYP1A2CYP2C9SCN5AKDM4E
SCHEMBL7863591 0.69 HTR7 (0.64) HTR7HTR1APLD1ADRB1PIM1
SCHEMBL2218392 0.68 SIGMAR1 (0.50) PLD1NCF1ADRB2HTR2AHTR2C
SCHEMBL233710 0.67 EPHX2 (1.00) EPHX2NCF1
Piperazine SCHEMBL5324447 0.66 EPHX2 (0.97) EPHX2NCF1
Hydrochloric Acid SCHEMBL10319192 0.66 EPHX2 (0.97) EPHX2NCF1
SCHEMBL3563724 0.65 NCF1 (0.66) EPHX2HTR7CYP1A2CYP2C9NCF1

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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