SCHEMBL4722216

SCHEMBL4722216

CCCCOC1CO[C](c2cccc3ccccc23)O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTR1B P28222 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR1D P28221 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL4723715 0.92 NPC1 (0.39) ALOX15NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4724232 0.87 MAPT (0.40) ALOX15NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4723665 0.80 NPC1 (0.43) ALOX15NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4723327 0.79 LTA4H (0.36) RAB9ATDP1L3MBTL1
SCHEMBL4765802 0.72 ALOX15 (0.37) ALOX15NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4724870 0.68 TLR8 (0.37) ALOX15CNR2TDP1HTR1BGAA
Decane SCHEMBL9931523 0.66 CNR1 (0.51) ALOX15NPC1MAPTRAB9ASMN1; SMN2
Tetradecane SCHEMBL9931525 0.66 CNR1 (0.51) ALOX15NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28437262 0.66 CNR2 (0.48) NPC1RAB9ASMN1; SMN2CNR2TDP1
SCHEMBL25558632 0.66 SMN1; SMN2 (0.35) SMN1; SMN2

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