SCHEMBL7397138

SCHEMBL7397138

Cc1noc(-c2ccc(F)cc2N(CC2CCN(CCNS(C)(=O)=O)CC2)C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
PMP22 Q01453 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
OPRK1 P41145 2/20 0.37
HTR2A P28223 4/20 0.37
DRD2 P14416 3/20 0.37
HTR7 P34969 3/20 0.37
HTR6 P50406 3/20 0.37
KCNH2 Q12809 3/20 0.37
ACKR3 P25106 2/20 0.36
HTR4 Q13639 3/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSK3B P49841 1/20 0.35

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
Maleic Acid SCHEMBL7398561 0.96 MEN1 (0.37) CYP2C9MEN1CYP3A4KMT2APMP22
Fumaric Acid SCHEMBL7398568 0.96 MEN1 (0.37) CYP2C9MEN1CYP3A4KMT2APMP22
SCHEMBL1039396 0.89 HTR4 (0.40) CYP2C9MEN1CYP3A4KMT2APMP22
SCHEMBL8128873 0.87 OPRK1 (0.39) CYP2C9MEN1CYP3A4KMT2APMP22
SCHEMBL7399420 0.84 HTT (0.37) CYP2C9MEN1KMT2APMP22NPSR1
Maleic Acid SCHEMBL8006695 0.83 MEN1 (0.39) CYP2C9MEN1CYP3A4KMT2APMP22
SCHEMBL8836846 0.82 HCRTR1 (0.35) KMT2AOPRK1KCNH2ACKR3
SCHEMBL8141472 0.81 OPRK1 (0.40) OPRK1KCNH2
Maleic Acid SCHEMBL7398825 0.81 SMN1; SMN2 (0.35) CYP2C9MEN1KMT2APMP22NPSR1
Fumaric Acid SCHEMBL7398829 0.81 SMN1; SMN2 (0.35) CYP2C9MEN1KMT2APMP22NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3236298-B2 2001-12-10 JP claimed
EP-0640081-B1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT4 ANTAGONISTS GLAXO GROUP LTD (GB) 2000-01-12 EP claimed
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US claimed
EP-0640081-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-01 EP claimed
WO-1993020071-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-10-14 WO claimed
EP-0972773-A1 2-Oxadiazolyl- or 2-thiadiazolyl-phenylcarbamate and -phenylurea derivatives, their preparation and their use as intermediates GLAXO GROUP LIMITED (GB) 2000-01-19 EP disclosed
EP-0640081-B1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT4 ANTAGONISTS GLAXO GROUP LTD (GB) 2000-01-12 EP disclosed
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US disclosed
EP-0640081-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-01 EP disclosed
WO-1993020071-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-10-14 WO disclosed