SCHEMBL9840264

SCHEMBL9840264

FC(F)(F)C(F)(F)c1ccc(CCl)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
DAO P14920 3/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TKT P29401 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL29995657 0.84 TRPV4 (0.52) TRPV4DAOKDM1AMAOAMAOB
SCHEMBL345116 0.84 TRPV4 (0.52) TRPV4DAOKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL22400793 0.82 TRPV4 (0.50) TRPV4DAOKDM1AMAOAMAOB
SCHEMBL7995933 0.82 TRPV4 (0.36) TRPV4DAOKDM1AMAOAMAOB
SCHEMBL7996113 0.82 TRPV4 (0.36) TRPV4DAOKDM1AMAOAMAOB
SCHEMBL7999416 0.78 CA1 (0.38) TRPV4DAOCA1CA2
SCHEMBL2463745 0.74 DAO (0.36) TRPV4DAOTKT
SCHEMBL9838998 0.72 MC4R (0.40) KDM1AMAOAMAOBCA1CA2
SCHEMBL20392814 0.70 KDM4E (0.38) TRPV4DAOKDM1AMAOAMAOB
SCHEMBL10564658 0.69 TRPV4 (0.39) TRPV4

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-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed