SCHEMBL7398680

SCHEMBL7398680

Cc1noc(-c2ccccc2N(CC2CCN(CCNCS(C)(=O)=O)CC2)C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.35
HCRTR2 O43614 8/20 0.35
ACKR3 P25106 1/20 0.35
KMT2A Q03164 1/20 0.34
PRMT6 Q96LA8 3/20 0.34
CARM1 Q86X55 2/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
Fumaric Acid SCHEMBL7399492 0.96 HCRTR1 (0.33) HCRTR1HCRTR2ACKR3KMT2APRMT6
Maleic Acid SCHEMBL7399489 0.96 HCRTR1 (0.33) HCRTR1HCRTR2ACKR3KMT2APRMT6
SCHEMBL1039396 0.91 HTR4 (0.40) HCRTR1HCRTR2ACKR3KMT2APRMT6
SCHEMBL8836846 0.89 HCRTR1 (0.35) HCRTR1HCRTR2ACKR3KMT2APRMT6
SCHEMBL7399420 0.88 HTT (0.37) HCRTR1HCRTR2ACKR3KMT2AKCNH2
SCHEMBL8134001 0.87 SLC6A2 (0.38) HCRTR1HCRTR2ACKR3KMT2APRMT6
SCHEMBL7398676 0.86 KDM1A (0.40) HCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7397093 0.86 KDM1A (0.39) HCRTR1HCRTR2ACKR3KMT2AADRA1A
SCHEMBL7398566 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7403466 0.85 ACKR3 (0.40) HCRTR1HCRTR2ACKR3KMT2APRMT6

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