SCHEMBL5265069

SCHEMBL5265069

C[C@@H]1CNCCN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.50
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.47
SLC6A7 Q99884 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
DPP4 P27487 1/20 0.44
FASN P49327 1/20 0.44

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
SCHEMBL5317493 1.00 GHSR (0.50) GHSRPOLBHPGDMAPK1CA1
Hydrochloric Acid SCHEMBL5316525 0.99 GHSR (0.49) GHSRPOLBHPGDMAPK1CA1
Hydrochloric Acid SCHEMBL5265791 0.99 GHSR (0.49) GHSRPOLBHPGDMAPK1CA1
SCHEMBL1090152 0.91 SIGMAR1 (0.54) HPGDCA1CA2CA4CA9
SCHEMBL1090149 0.91 SIGMAR1 (0.54) HPGDCA1CA2CA4CA9
SCHEMBL1763575 0.91 SIGMAR1 (0.54) HPGDCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3710664 0.90 SIGMAR1 (0.53) HPGDCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL1763150 0.90 SIGMAR1 (0.53) HPGDCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL1763147 0.90 SIGMAR1 (0.53) HPGDCA1CA2CA4CA9
SCHEMBL30671639 0.84 GAA (0.50) HPGDCA1CA2CA4CA9

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-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed