SCHEMBL6930144

SCHEMBL6930144

CCCOc1ccc(CCC(=O)N2CCOCC2)cc1C1[N]C(=O)c2c(C)n[nH]c2N1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
GLA P06280 1/20 0.38
RIPK1 Q13546 2/20 0.37
FKBP1A P62942 3/20 0.37
TSHR P16473 2/20 0.37
IDH1 O75874 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 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
SCHEMBL6933205 0.88 RAB9A (0.39) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL6927520 0.78 MAPT (0.36) KDM4EHPGDTSHRALDH1A1KMT2A
SCHEMBL7132309 0.76 KDM4E (0.45) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8769913 0.73 KDM4E (0.34) KDM4EHPGDHTTALDH1A1KMT2A
SCHEMBL6933209 0.70 PKM (0.41) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL8769683 0.69 RAB9A (0.39) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL3841327 0.69 PDE5A (0.59) PDE5A
SCHEMBL8769700 0.63 MAPT (0.39) RAB9AKDM4EHPGDNPC1TSHR
SCHEMBL7568931 0.63 PDE5A (0.47) KDM4EHTTALDH1A1KMT2AMEN1
SCHEMBL9426298 0.61 FKBP1A (0.53) RAB9AKDM4EHPGDNPC1GLA

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 3 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 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