SCHEMBL6865798

SCHEMBL6865798

CC1CCN(c2ccc(C(=O)Nc3ccc4cccnc4c3)cn2)CC1.O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.48
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
DGAT1 O75907 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
SMO Q99835 1/20 0.40

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
SCHEMBL4426962 0.89 TRPV1 (0.57) TRPV1RAB9ANPC1MAPTALDH1A1
SCHEMBL4426813 0.78 TRPV1 (0.69) TRPV1RAB9ANPC1MAPTALDH1A1
SCHEMBL4425249 0.78 TRPV1 (0.62) TRPV1RAB9ANPC1MAPTALDH1A1
SCHEMBL4425985 0.75 RAB9A (0.72) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL13930600 0.74 SMO (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12832029 0.70 SMO (0.77) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4425107 0.68 TRPV1 (0.82) TRPV1RAB9ANPC1MAPTKMT2A
SCHEMBL846733 0.68 TRPV1 (0.56) TRPV1RAB9ANPC1DGAT1KDM4E
SCHEMBL10238407 0.67 SMO (0.56) ALDH1A1SMO
SCHEMBL1072748 0.67 ABL1 (0.51) SMO

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-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed