SCHEMBL6929189

SCHEMBL6929189

CCCOc1ccc(C=CC(=O)N2CCOCC2)cc1CCCc1nc2[nH]nc(C)c2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APP P05067 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAOB P27338 1/20 0.39
PDE5A O76074 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3835865 0.71 PDE5A (0.58) PDE5A
SCHEMBL7350274 0.71 PDE5A (0.58) PDE5A
SCHEMBL6933267 0.69 NPC1 (0.47) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL6929185 0.69 NPC1 (0.47) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL8077987 0.69 TRPV1 (0.66) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL8077994 0.69 TRPV1 (0.66) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL14441230 0.66 RAB9A (0.91) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL7795495 0.63 NPC1 (0.48) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL9364141 0.62 TRPV1 (0.81) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL9363901 0.62 TRPV1 (0.81) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO claimed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO claimed
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP disclosed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO disclosed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO disclosed