SCHEMBL8538232

SCHEMBL8538232

COc1ccc(OCCCCCCCc2nccn2NC(C)=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
MTNR1B P49286 5/20 0.41
MTNR1A P48039 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8535541 0.82 MRGPRX4 (0.43) MRGPRX4MAPTALDH1A1GAAMAPK1
SCHEMBL8540593 0.82 S1PR4 (0.42) MRGPRX4MAPTALDH1A1GAAMAPK1
SCHEMBL8538356 0.79 S1PR4 (0.39) MRGPRX4MAPTGAAMAPK1S1PR4
SCHEMBL8536878 0.78 KDM4E (0.40) MRGPRX4MAPTALDH1A1GAAMAPK1
SCHEMBL8536773 0.77 SMN1; SMN2 (0.41) MAPTGAAMAPK1S1PR4MEN1
SCHEMBL9270152 0.74 HTT (0.42) MRGPRX4MAPTALDH1A1MAPK1S1PR4
SCHEMBL8903264 0.74 MAPT (0.60) MRGPRX4MAPTALDH1A1GAAMAPK1
SCHEMBL9264976 0.73 HTT (0.43) MRGPRX4MAPTALDH1A1MAPK1S1PR4
SCHEMBL11319008 0.71 MRGPRX4 (0.49) MRGPRX4MAPTALDH1A1GAAMAPK1
SCHEMBL8540415 0.70 HTT (0.53) MRGPRX4MAPTALDH1A1MAPK1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US claimed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP claimed
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed