SCHEMBL5318442

SCHEMBL5318442

CC1CN(C(=O)OC(=O)c2ccc(-c3ccccc3)cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
ATR Q13535 1/20 0.44
USP30 Q70CQ3 1/20 0.42
REN P00797 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
FASN P49327 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A7 Q99884 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL17477123 0.78 HDAC1 (0.41) HRH4ATRSMN1; SMN2
SCHEMBL7958970 0.77 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1
SCHEMBL4336868 0.77 GAA (0.60) HRH4RENMAPK1MEN1KMT2A
SCHEMBL20267367 0.76 SIGMAR1 (0.62) POLBMEN1KMT2ASIGMAR1
SCHEMBL1090206 0.75 SIGMAR1 (0.65) HRH4ATRRENHPGDKMT2A
SCHEMBL1090204 0.75 SIGMAR1 (0.65) HRH4ATRRENHPGDKMT2A
SCHEMBL10293578 0.75 SIGMAR1 (0.65) HRH4ATRRENHPGDKMT2A
SCHEMBL13490134 0.74 HTR2C (0.58) HRH4USP30MEN1KMT2ASMN1; SMN2
SCHEMBL2787453 0.74 HTR2C (0.58) HRH4USP30MEN1KMT2ASMN1; SMN2
SCHEMBL2579734 0.74 HTR2C (0.58) HRH4USP30MEN1KMT2ASMN1; 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-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