SCHEMBL8328677

SCHEMBL8328677

COCCN(CCCO)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAPT P10636 1/20 0.38
GRM2 Q14416 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8327446 0.85 MEN1 (0.43) MEN1KMT2AMCHR1MAPT
SCHEMBL14012776 0.84 ACKR3 (0.47) MEN1KMT2ANPSR1
SCHEMBL8327315 0.84 DRD2 (0.41) MEN1KMT2AMCHR1
SCHEMBL14376647 0.81 MCHR1 (0.46) MEN1KMT2AMCHR1
SCHEMBL3746659 0.79 MEN1 (0.50) MEN1KMT2AMCHR1MAPT
SCHEMBL6264177 0.76 HTT (0.54) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL8331123 0.76 ALDH1A1 (0.40) MEN1KMT2AMCHR1NPSR1
SCHEMBL8329918 0.74 MCHR1 (0.37) MEN1KMT2AMCHR1
SCHEMBL8326756 0.74 MAOB (0.59)
SCHEMBL8959 0.74 PIK3CD (0.33) MEN1KMT2A

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