SCHEMBL8330561

SCHEMBL8330561

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ERBB2 P04626 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
TSPO P30536 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 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
SCHEMBL8323705 0.86 TSPO (0.43) EGFRERBB2OXTRAVPR1ATSPO
SCHEMBL8326125 0.83 HTR2A (0.38) OXTRAVPR1AYAP1TEAD4TEAD2
SCHEMBL8323723 0.83 SLC6A2 (0.45) OXTRAVPR1AHTR2AMEN1KMT2A
SCHEMBL8331217 0.83 HTR2A (0.38) OXTRAVPR1AYAP1TEAD4TEAD2
SCHEMBL8326122 0.83 HTR2A (0.38) OXTRAVPR1AYAP1TEAD4TEAD2
SCHEMBL8326747 0.83 SLC6A2 (0.45) OXTRAVPR1AHTR2AMEN1KMT2A
SCHEMBL8326129 0.83 HTR2A (0.38) OXTRAVPR1AYAP1TEAD4TEAD2
SCHEMBL8326753 0.83 SLC6A2 (0.45) OXTRAVPR1AHTR2AMEN1KMT2A
SCHEMBL8331211 0.83 HTR2A (0.38) OXTRAVPR1AYAP1TEAD4TEAD2
SCHEMBL8323725 0.83 SLC6A2 (0.45) OXTRAVPR1AHTR2AMEN1KMT2A

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