SCHEMBL3458046

SCHEMBL3458046

CCn1nnc(Cc2ccc(O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.55
CNR2 P34972 4/20 0.50
TRPV1 Q8NER1 3/20 0.49
CNR1 P21554 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.48
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL4831202 0.83 SMN1; SMN2 (0.58) MGLLCNR2TRPV1CNR1HTR1A
SCHEMBL4404110 0.83 TRPV1 (0.59) MGLLCNR2TRPV1CNR1HTR1A
SCHEMBL4825891 0.77 ALDH1A1 (0.46) CNR2TRPV1CNR1HTR1AHTR2C
SCHEMBL2644386 0.74 SMN1; SMN2 (0.69) TRPM8SMN1; SMN2NPC1PKMRAB9A
SCHEMBL23277296 0.72
SCHEMBL4407827 0.70 CNR2 (0.56) MGLLCNR2TRPV1CNR1HDAC6
SCHEMBL4412024 0.69
SCHEMBL22187173 0.69 CNR2 (0.63) MGLLCNR2TRPV1CNR1HDAC6
SCHEMBL4405605 0.67 HDAC6 (0.68) MGLLCNR2TRPV1CNR1HDAC6
SCHEMBL4407064 0.67 CNR2 (0.52) MGLLCNR2TRPV1CNR1HDAC6

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-2010018438-A2 TETRAZOLE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 WO disclosed
WO-2010018438-A2 TETRAZOLE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 WO disclosed