SCHEMBL5690946

SCHEMBL5690946

CC(C)(C)c1ccc2c(c1)CCC2NNC1CCc2cc(C(C)(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.46
TRPV4 Q9HBA0 1/20 0.46
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM1A O60341 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
LMNA P02545 1/20 0.36
SRD5A1 P18405 1/20 0.36

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
SCHEMBL23408969 0.88 PDPK1 (0.54) TRPV1TRPV4PDPK1CA12CA1
SCHEMBL4792781 0.83 TRPV1 (0.45) TRPV1TRPV4CA12CA1CA2
SCHEMBL11910662 0.82 CA12 (0.60) TRPV1TRPV4CA12CA1CA2
SCHEMBL11888082 0.81 GRIN2B (0.46) TRPV1TRPV4KDM1A
SCHEMBL1169931 0.81 TRPV1 (0.53) TRPV1TRPV4CA12CA1CA2
SCHEMBL1169928 0.81 TRPV1 (0.53) TRPV1TRPV4CA12CA1CA2
SCHEMBL1858738 0.80 GAA (0.42) TRPV1TRPV4PDPK1LMNA
SCHEMBL1858736 0.80 GAA (0.42) TRPV1TRPV4PDPK1LMNA
SCHEMBL1858737 0.80 GAA (0.42) TRPV1TRPV4PDPK1LMNA
SCHEMBL11997977 0.79 TRPV1 (0.58) TRPV1TRPV4CA12CA1CA2

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-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed