SCHEMBL7399469

SCHEMBL7399469

Cc1noc(-c2ccccc2N(CC2CCN(CCC(N)=O)CC2)C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
HCRTR1 O43613 13/20 0.39
HCRTR2 O43614 13/20 0.39
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7403466 0.91 ACKR3 (0.40) ACKR3HCRTR1HCRTR2KMT2ACHRM2
SCHEMBL7397803 0.88 ACKR3 (0.42) ACKR3HCRTR1HCRTR2KMT2A
SCHEMBL7397799 0.86 ACHE (0.46)
SCHEMBL8134001 0.86 SLC6A2 (0.38) ACKR3HCRTR1HCRTR2KMT2AADRA1A
SCHEMBL1039396 0.84 HTR4 (0.40) ACKR3HCRTR1HCRTR2KMT2AKCNH2
SCHEMBL7397093 0.84 KDM1A (0.39) ACKR3HCRTR1HCRTR2KMT2ACHRM2
SCHEMBL7398676 0.84 KDM1A (0.40) ACKR3HCRTR1HCRTR2KMT2A
SCHEMBL7398566 0.84 HCRTR1 (0.35) ACKR3HCRTR1HCRTR2KMT2ACHRM2
SCHEMBL8836846 0.84 HCRTR1 (0.35) ACKR3HCRTR1HCRTR2KMT2AADRA1A
Fumaric Acid SCHEMBL7400191 0.84 ACKR3 (0.40) ACKR3HCRTR1HCRTR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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