SCHEMBL6933205

SCHEMBL6933205

CCCOc1ccc(CCC(=O)N2CCOCC2)cc1C1NC(=O)c2c(C)n[nH]c2N1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
FKBP1A P62942 3/20 0.37
TSHR P16473 2/20 0.37
IDH1 O75874 1/20 0.36
RIPK1 Q13546 2/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6930144 0.88 RAB9A (0.38) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL8769700 0.77 MAPT (0.39) RAB9AKDM4EHPGDNPC1TSHR
SCHEMBL6933209 0.69 PKM (0.41) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL8769683 0.68 RAB9A (0.39) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL3841327 0.68 PDE5A (0.59)
SCHEMBL6927520 0.63 MAPT (0.36) KDM4EHPGDTSHRKMT2AALDH1A1
SCHEMBL7132309 0.62 KDM4E (0.45) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9426298 0.61 FKBP1A (0.53) RAB9AKDM4EHPGDNPC1GLA
SCHEMBL10195739 0.60 FKBP1A (0.72) RAB9AFKBP1ATSHRKMT2AALDH1A1
SCHEMBL23085706 0.59 HPGD (0.43) RAB9AKDM4EHPGDNPC1KMT2A

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 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