SCHEMBL2877207

SCHEMBL2877207

CC(=O)NC1CC(C)CCC1C(=O)N(c1cc(-c2ccccc2)sc1OC(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.42
TRPM8 Q7Z2W7 1/20 0.38
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN5 P54829 1/20 0.33
KDM4E B2RXH2 2/20 0.32
FASN P49327 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 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
SCHEMBL2877115 0.87 TRPV1 (0.39) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL3811209 0.87 TRPV1 (0.37) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL2878731 0.87 MAPT (0.44) TRPV1TRPM8MAPTKDM4EALDH1A1
SCHEMBL3811154 0.86 TRPV1 (0.37) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL3809541 0.86 TRPV1 (0.37) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL3811193 0.86 TRPV1 (0.37) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL3809145 0.84 TRPV1 (0.38) TRPV1TRPM8MAPTNPSR1NPC1
SCHEMBL3807257 0.83 KDM4E (0.39) TRPV1MAPTNPSR1NPC1RAB9A
SCHEMBL3814603 0.81 TRPV1 (0.35) TRPV1NPSR1RAB9AKDM4EFASN
SCHEMBL2879577 0.80 GPR88 (0.33) TRPV1TRPM8

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-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed