SCHEMBL6933209

SCHEMBL6933209

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
PDE5A O76074 1/20 0.39
RIPK1 Q13546 2/20 0.38
TLR7 Q9NYK1 4/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TSHR P16473 3/20 0.37
FKBP1A P62942 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LCK P06239 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6929189 0.84 NPC1 (0.46) RAB9ANPC1KDM4EHPGDPDE5A
SCHEMBL3841327 0.71 PDE5A (0.59) PDE5A
SCHEMBL6930144 0.70 RAB9A (0.38) PKMRAB9ANPC1KDM4EGLA
SCHEMBL6933205 0.69 RAB9A (0.39) PKMRAB9ANPC1KDM4EGLA
SCHEMBL26688805 0.64 PKM (0.63) PKMKDM4ETSHRGAAALOX15
SCHEMBL8769683 0.63 RAB9A (0.39) RAB9ANPC1KDM4EGLAHPGD
SCHEMBL6198487 0.60 PDE5A (0.65) KDM4EHPGDPDE5APDE2AALOX15
SCHEMBL10195739 0.60 FKBP1A (0.72) RAB9ATSHRFKBP1AKMT2AALDH1A1
SCHEMBL31428684 0.59 FKBP1A (0.54) PKMKDM4EHPGDTSHRFKBP1A
SCHEMBL5446911 0.59 RAB9A (0.57) RAB9ANPC1KDM4EGLAHPGD

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