SCHEMBL15959233

SCHEMBL15959233

CCCCCc1nc(C(F)(F)F)ccc1/C=C/C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.38
MCHR1 Q99705 2/20 0.37
FAAH O00519 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR4 O95977 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR5 Q9H228 2/20 0.32
HDAC1 Q13547 2/20 0.32
IAPP P10997 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3778109 0.90 KDM4E (0.40) TRPV1MCHR1KMT2AKDM4ECYP1A2
SCHEMBL3778110 0.90 KDM4E (0.40) TRPV1MCHR1KMT2AKDM4ECYP1A2
SCHEMBL3785173 0.86 KDM4E (0.39) TRPV1MCHR1KMT2AKDM4ESMN1; SMN2
SCHEMBL3785172 0.86 KDM4E (0.39) TRPV1MCHR1KMT2AKDM4ESMN1; SMN2
SCHEMBL3773270 0.81 KDM4E (0.40) TRPV1MCHR1KMT2AKDM4ESMN1; SMN2
SCHEMBL3773271 0.81 KDM4E (0.40) TRPV1MCHR1KMT2AKDM4ESMN1; SMN2
SCHEMBL31031262 0.80 TRPV1 (0.36) TRPV1MCHR1KDM4E
SCHEMBL13017801 0.77 TRPV1 (0.52) TRPV1LMNAMAPTKMT2AATM
SCHEMBL3781790 0.76 TRPV1 (0.42) TRPV1LMNAKMT2AATMKDM4E
SCHEMBL3781784 0.76 TRPV1 (0.42) TRPV1LMNAKMT2AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed