SCHEMBL4723665

SCHEMBL4723665

COC1CO[C](c2cccc3ccccc23)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 6/20 0.37
SLC6A3 Q01959 1/20 0.35
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 3/20 0.34
SLC6A4 P31645 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
HTR7 P34969 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33

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 0.82 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL4722216 0.80 ALOX15 (0.38) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL3237232 0.69 NISCH (0.46) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL3248017 0.69 MAPT (0.42) NPC1MAPTRAB9ASMN1; SMN2ALOX15
Methoxymethane SCHEMBL15104847 0.68 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2ALOX15DHFR
SCHEMBL27395138 0.66 NISCH (0.44) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL4721176 0.66 MAPT (0.39) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL27582162 0.64 HTR7 (0.40) NPC1MAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL25302086 0.63 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27953 0.63 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1L3MBTL1

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