SCHEMBL4015287

SCHEMBL4015287

O=C(CCCc1ccc(C(F)(F)F)nc1N1CCCCC1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 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
SCHEMBL13963132 0.88 TRPV1 (0.39) TRPV1
SCHEMBL4012387 0.80 ENPP2 (0.35)
SCHEMBL13962556 0.79 GPBAR1 (0.45)
SCHEMBL3100584 0.78 TRPV1 (0.47) TRPV1
SCHEMBL3100577 0.78 TRPV1 (0.47) TRPV1
SCHEMBL3936207 0.76 TRPV1 (0.46) TRPV1
SCHEMBL4009139 0.76 PTGDR2 (0.36)
SCHEMBL4013236 0.75 PTGDR2 (0.34)
SCHEMBL4012243 0.74 GPBAR1 (0.50)
SCHEMBL4012024 0.74 SMN1; SMN2 (0.40) TRPV1

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
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed