SCHEMBL4408960

SCHEMBL4408960

CC(C)Cc1nnn(CC(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TOP2A P11388 1/20 0.33
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19302724 0.86 TRPV1 (0.49) TRPV1CNR1CNR2TOP2APKM
SCHEMBL20711262 0.83 TRPV1 (0.47) TRPV1CNR1CNR2PKMATM
SCHEMBL4409005 0.83 TRPV1 (0.53) TRPV1CNR1CNR2TOP2APKM
SCHEMBL4407234 0.83 TRPV1 (0.38) TRPV1CNR1CNR2PKMATM
SCHEMBL4407372 0.80 RECQL (0.45) TRPV1CNR1CNR2PKMATM
SCHEMBL20711268 0.80 TRPV1 (0.50) TRPV1CNR1CNR2TOP2A
SCHEMBL4412221 0.80 TRPV1 (0.50) TRPV1CNR1CNR2TOP2APKM
SCHEMBL20711388 0.79 TRPV1 (0.38) TRPV1CNR1CNR2
SCHEMBL4400322 0.79 TRPV1 (0.49) TRPV1CNR1CNR2TOP2A
SCHEMBL4405653 0.79 TRPV1 (0.36) TRPV1CNR1CNR2

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed