SCHEMBL1662735

SCHEMBL1662735

O=C(O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.78
POLB P06746 2/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.39
PKM P14618 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
SCHEMBL3489235 0.93 GPR119 (0.78) GPR119POLBBLMTDP1KMT2A
SCHEMBL3488667 0.89 GPR119 (0.73) GPR119POLBBLMTDP1KMT2A
SCHEMBL1118210 0.89 GPR119 (0.75) GPR119POLBBLMTDP1KMT2A
SCHEMBL1118281 0.89 GPR119 (0.75) GPR119POLBBLMTDP1KMT2A
SCHEMBL1118551 0.89 GPR119 (0.75) GPR119POLBBLMTDP1KMT2A
SCHEMBL1664563 0.88 GPR119 (1.00) GPR119POLBBLMTDP1KMT2A
SCHEMBL3489731 0.88 GPR119 (0.74) GPR119POLBBLMTDP1KMT2A
SCHEMBL3488039 0.88 GPR119 (0.79) GPR119POLBBLMTDP1KMT2A
SCHEMBL14874881 0.87 GPR119 (0.71) GPR119POLBBLMTDP1KMT2A
SCHEMBL3489359 0.87 GPR119 (0.78) GPR119POLBBLMTDP1KMT2A

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-2483281-A1 SUBSTITUTED TETRAZOL-1-YL-PHENOXYMETHYL-THIAZOL-2-YL-PIPERIDINYL-PYRIMIDINE SALTS Metabolex Inc. (US) 2012-08-08 EP disclosed
WO-2011041154-A1 SUBSTITUTED TETRAZOL-1-YL-PHENOXYMETHYL-THIAZOL-2-YL-PIPERIDINYL-PYRIMIDINE SALTS METABOLEX, INC. (US) 2011-04-07 WO disclosed