SCHEMBL7394452

SCHEMBL7394452

Cc1noc(-c2ccccc2N(C(=O)O)C2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
ADRA1A P35348 1/20 0.41
PLAT P00750 1/20 0.39
HCRTR1 O43613 10/20 0.39
HCRTR2 O43614 5/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NMT1 P30419 2/20 0.38
PDK2 Q15119 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7397878 0.83 ADRA1A (0.43) KMT2AADRA1APLATHCRTR1HCRTR2
SCHEMBL7398211 0.82 OPRM1 (0.50) KMT2A
Hydrochloric Acid SCHEMBL7398822 0.82 ADRA1A (0.42) KMT2AADRA1APLATHCRTR1HCRTR2
SCHEMBL4388788 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7435681 0.75 KDM1A (0.40)
Hydrochloric Acid SCHEMBL1922778 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL9821859 0.73 HCRTR1 (0.40) KMT2AHCRTR1HCRTR2
SCHEMBL7401290 0.73 HCRTR1 (0.40) KMT2AHCRTR1HCRTR2
SCHEMBL7399277 0.69 KMT2A (0.39) KMT2AADRA1AHCRTR1HCRTR2NMT1
SCHEMBL1257626 0.69 TSHR (0.60) KMT2AHCRTR1HCRTR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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