SCHEMBL7398676

SCHEMBL7398676

Cc1noc(-c2ccccc2N(CC2CCN(CCN(C)S(C)(=O)=O)CC2)C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
HCRTR1 O43613 10/20 0.35
HCRTR2 O43614 10/20 0.35
ACKR3 P25106 1/20 0.35
OPRM1 P35372 5/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 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
Maleic Acid SCHEMBL7399487 0.96 KDM1A (0.38) KDM1AHCRTR1HCRTR2ACKR3OPRM1
SCHEMBL7398566 0.92 HCRTR1 (0.35) HCRTR1HCRTR2ACKR3OPRM1KMT2A
SCHEMBL1039396 0.87 HTR4 (0.40) KDM1AHCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7403466 0.86 ACKR3 (0.40) HCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7398680 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7399420 0.85 HTT (0.37) KDM1AHCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7397093 0.85 KDM1A (0.39) KDM1AHCRTR1HCRTR2ACKR3KMT2A
SCHEMBL8836846 0.85 HCRTR1 (0.35) KDM1AHCRTR1HCRTR2ACKR3OPRM1
SCHEMBL7399469 0.84 ACKR3 (0.40) HCRTR1HCRTR2ACKR3KMT2A
SCHEMBL7397803 0.84 ACKR3 (0.42) HCRTR1HCRTR2ACKR3KMT2A

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