SCHEMBL7399465

SCHEMBL7399465

Cc1noc(-c2ccccc2N(CC2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 9/20 0.37
HCRTR2 O43614 9/20 0.37
POLB P06746 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 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
Fumaric Acid SCHEMBL7400733 0.96 POLB (0.36) RECQLSMN1; SMN2HCRTR1HCRTR2POLB
Maleic Acid SCHEMBL7400730 0.96 POLB (0.36) RECQLSMN1; SMN2HCRTR1HCRTR2POLB
SCHEMBL7399277 0.81 KMT2A (0.39) HCRTR1HCRTR2PIK3CDPIK3CGKMT2A
SCHEMBL7398676 0.81 KDM1A (0.40) HCRTR1HCRTR2KMT2A
SCHEMBL7398566 0.81 HCRTR1 (0.35) HCRTR1HCRTR2KMT2A
SCHEMBL1039396 0.81 HTR4 (0.40) HCRTR1HCRTR2ALDH1A1KMT2A
SCHEMBL7397799 0.81 ACHE (0.46)
SCHEMBL8121996 0.80 HCRTR1 (0.35) HCRTR1HCRTR2KMT2AOPRK1
SCHEMBL7398680 0.80 HCRTR1 (0.35) HCRTR1HCRTR2KMT2AOPRK1
SCHEMBL7403466 0.80 ACKR3 (0.40) HCRTR1HCRTR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3236298-B2 2001-12-10 JP 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
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