SCHEMBL6826358

SCHEMBL6826358

O=C(Nc1cccc2ccc(O)cc12)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.74
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.51

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
SCHEMBL5694477 0.94 TRPV1 (0.77) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL11726742 0.85 TRPV1 (0.76) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL11422447 0.85 TRPV1 (1.00) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL2747077 0.83 NPC1 (0.71) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL15782671 0.83 TRPV1 (0.72) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL7539037 0.81 NPC1 (0.78) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6825915 0.81 TRPV1 (0.69) TRPV1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL12172779 0.80 GFER (0.69) TRPV1RAB9ANPC1KMT2AMEN1
SCHEMBL2676769 0.79 TRPV1 (0.70) TRPV1RAB9AKMT2AMEN1KDM4E
SCHEMBL4642544 0.79 NPC1 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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-2004089877-A1 NEW HYDROXYNAPHTHYL AMIDES ASTRAZENECA AB (SE) 2004-10-21 WO claimed
WO-2004089877-A1 NEW HYDROXYNAPHTHYL AMIDES ASTRAZENECA AB (SE) 2004-10-21 WO disclosed