SCHEMBL846516

SCHEMBL846516

CC(C)(C)c1ccc(C2CC2)cc1.O=C(O)Nc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.65
KDR P35968 2/20 0.53
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
KDM4E B2RXH2 5/20 0.52
MITF O75030 1/20 0.52
XBP1 P17861 1/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
ADCY6 O43306 1/20 0.47
ADCY3 O60266 1/20 0.47
ADCY9 O60503 1/20 0.47

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
SCHEMBL846477 0.89 KDR (0.59) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL13763264 0.82 KDR (0.71) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL846245 0.80 TRPV1 (0.56) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL846963 0.80 TRPV1 (0.64) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL651159 0.79 KDR (0.74) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL846396 0.79 TRPV1 (1.00) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL4899760 0.77 KDR (0.60) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL13544369 0.75 TRPV1 (0.78) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL846474 0.75 TRPV1 (0.70) TRPV1KDRRAB9ANPC1KDM4E
SCHEMBL846062 0.73 TRPV1 (0.67) TRPV1KDRRAB9ANPC1KDM4E

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