SCHEMBL6176906

SCHEMBL6176906

CN(C)Cc1cccnc1NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
TRPV1 Q8NER1 1/20 0.52
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDR P35968 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL23566407 0.85 HTT (0.63) HTTRAB9ANPC1ATMMEN1
SCHEMBL14635929 0.83 HTT (0.60) HTTRAB9ANPC1TRPV1ATM
SCHEMBL6589523 0.78 BCHE (0.59) MAPTHPGD
SCHEMBL10809575 0.76 HTT (0.45) HTTRAB9ANPC1ATMMEN1
SCHEMBL7532358 0.76 KMT2A (0.68) HTTRAB9ANPC1ATMMEN1
SCHEMBL30648563 0.74 RAB9A (0.88) HTTRAB9ANPC1ATMMEN1
SCHEMBL10813641 0.74 CACNA1H (0.45) HTTRAB9ANPC1KDRMAPT
SCHEMBL14439750 0.73 NPC1 (0.61) HTTRAB9ANPC1ATMMEN1
SCHEMBL3820618 0.73 HTT (0.66) HTTRAB9ANPC1ATMMEN1
SCHEMBL23566394 0.73 USP2 (0.68) HTTRAB9ANPC1ATMMEN1

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-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed