SCHEMBL4026704

SCHEMBL4026704

NC(CCO)c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.43
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
Hydrochloric Acid SCHEMBL3949120 0.98 APLNR (0.42) APLNR
SCHEMBL31471324 0.90 APLNR (0.41) APLNR
SCHEMBL1440344 0.85 APLNR (0.45) APLNRHRH1KCNH2TRPV3
SCHEMBL1440342 0.85 APLNR (0.45) APLNRHRH1KCNH2TRPV3
Hydrochloric Acid SCHEMBL1693505 0.84 APLNR (0.44) APLNRHRH1KCNH2TRPV3
Hydrochloric Acid SCHEMBL1439641 0.84 APLNR (0.44) APLNRHRH1KCNH2TRPV3
Hydrochloric Acid SCHEMBL1438841 0.84 APLNR (0.44) APLNRHRH1KCNH2TRPV3
Hydrochloric Acid SCHEMBL3020024 0.84 APLNR (0.44) APLNRHRH1KCNH2TRPV3
Hydrochloric Acid SCHEMBL1693507 0.84 APLNR (0.44) APLNRHRH1KCNH2TRPV3
SCHEMBL20472734 0.79 MAOB (0.38) MAOB

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
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed