SCHEMBL4724619

SCHEMBL4724619

CCOc1cccc2c1C(c1cccc3ccccc13)[C]O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.40
HTR1B P28222 3/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A4 P31645 6/20 0.36
HRH1 P35367 1/20 0.36
TSHR P16473 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL4722485 0.90 HTR1B (0.41) HTR1BHTR1DHTR2CHTR2BDRD2
SCHEMBL4722451 0.89 TP53 (0.44) HTR1BHTR1DSLC6A4HRH1
SCHEMBL4720305 0.88 ENPP1 (0.38) ENPP1HTR1BHTR1DHTR2AHTR2C
SCHEMBL4720531 0.87 FABP7 (0.40) HTR2ASLC6A4
SCHEMBL4723946 0.80 ALDH1A1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL4721222 0.78 HTR1B (0.40) HTR1BHTR1DHTR2CHTR2BDRD2
SCHEMBL4720812 0.77 TP53 (0.43) HTR1BHTR1DSLC6A4HRH1
SCHEMBL4723599 0.74 FABP7 (0.39)
SCHEMBL45343 0.70 HTR1B (0.61) HTR1BHTR1DSLC6A4HRH1TSHR
SCHEMBL4720536 0.69 HTR2C (0.37) HTR2AHTR2CHTR2BTSHR

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