SCHEMBL846426

SCHEMBL846426

CCC(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.47
RXRB P28702 10/20 0.47
RXRG P48443 10/20 0.47
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
MET P08581 1/20 0.37
CFTR P13569 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NR2F2 P24468 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
MGAM O43451 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
Hydrochloric Acid SCHEMBL8829056 0.80 RAB9A (0.42) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL846632 0.78 DAGLA (0.42) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL6388617 0.74 TRPV1 (0.42) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL845853 0.72 TRPV1 (0.46) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL6384532 0.72 TRPV1 (0.41) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL13616 0.70 KDR (0.44) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL846489 0.69 NPC1 (0.63) TSHRRAB9ATRPV1RARARARB
SCHEMBL846427 0.67 MEN1 (0.58) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL860051 0.67 KDM4E (0.49) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL8103047 0.67 RXRA (0.47) RXRARXRBRXRGRARBCYP26B1

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed