SCHEMBL8323705

SCHEMBL8323705

CCOC(=O)N(Cc1ccc(F)cc1)CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
MAPT P10636 2/20 0.39
RIPK1 Q13546 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8330561 0.86 EGFR (0.40) TSPOYAP1TEAD4TEAD2POLB
SCHEMBL8328914 0.83 SLC6A2 (0.40) TSPOYAP1TEAD4TEAD2POLB
SCHEMBL8328218 0.82 OXTR (0.40) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL8325802 0.82 OXTR (0.40) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL8325667 0.82 OXTR (0.40) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL8327746 0.81 OXTR (0.39) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL8331110 0.81 OXTR (0.39) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL8327750 0.81 OXTR (0.39) YAP1TEAD4TEAD2POLBOXTR
SCHEMBL967344 0.78 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL5540914 0.75 HTR2A (0.40) MEN1KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed