SCHEMBL840724

SCHEMBL840724

NC(=O)c1ccc(C(=O)NCC(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
MAPK14 Q16539 1/20 0.45
NNMT P40261 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
GABRA5 P31644 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL3668875 0.86 SCN9A (0.47) HDAC6NNMTSMN1; SMN2KMT2AMAOB
SCHEMBL840084 0.83 MAPK1 (0.60) LOXL2HDAC6SMN1; SMN2KMT2AGABRA5
SCHEMBL1503089 0.81 NNMT (0.49) NNMTSMN1; SMN2MAOBKDM4ENPC1
SCHEMBL15747506 0.79 ALDH1A1 (0.50) LOXL2HDAC6MAOBKDM4EALDH1A1
SCHEMBL25737802 0.77 LOXL2 (0.50) LOXL2SMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL2219738 0.76 NNMT (0.61) NNMTSMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL17055108 0.76 HDAC1 (0.58) LOXL2HDAC6NNMTSMN1; SMN2GABRA5
SCHEMBL12924077 0.75 PDE10A (0.55) LOXL2KMT2AALDH1A1RAB9ASCN9A
SCHEMBL20512388 0.74 LOXL2 (0.50) LOXL2SCN9ASCN10A
SCHEMBL978974 0.73 NNMT (0.63) NNMTSMN1; SMN2KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US claimed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP claimed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed