SCHEMBL4765802

SCHEMBL4765802

CCCCOC1OCCO[C]1c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.35
HTR1B P28222 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 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
SCHEMBL4765573 0.93 HTR7 (0.36) ALOX15GAACNR1CNR2HTR1B
SCHEMBL4722801 0.87 HTR7 (0.40) ALOX15GAAL3MBTL1HTR1AHTR7
SCHEMBL4720031 0.79 LTA4H (0.35) GAATDP1L3MBTL1
SCHEMBL4722216 0.72 ALOX15 (0.38) ALOX15GAATDP1L3MBTL1CNR1
SCHEMBL4720577 0.71 MEN1 (0.33) MAPT
Tetradecane SCHEMBL9931525 0.68 CNR1 (0.51) ALOX15GAACNR1CNR2NPC1
Decane SCHEMBL9931523 0.68 CNR1 (0.51) ALOX15GAACNR1CNR2NPC1
SCHEMBL4724870 0.68 TLR8 (0.37) ALOX15GAATDP1L3MBTL1CNR1
SCHEMBL28437262 0.65 CNR2 (0.48) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL4721318 0.65 KDM4E (0.33) NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed