SCHEMBL7399420

SCHEMBL7399420

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR4 Q13639 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MAPT P10636 1/20 0.35
TMEM97 Q5BJF2 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 SCHEMBL7398829 0.96 SMN1; SMN2 (0.35) HTTSMN1; SMN2MEN1KMT2AALDH1A1
Maleic Acid SCHEMBL7398825 0.96 SMN1; SMN2 (0.35) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1039396 0.95 HTR4 (0.40) MEN1KMT2AALDH1A1HTR4CYP1A2
SCHEMBL8836846 0.89 HCRTR1 (0.35) KMT2AKCNH2SLC6A2SLC6A4KDM1A
SCHEMBL7398680 0.88 HCRTR1 (0.35) KMT2AKCNH2SLC6A2SLC6A4HCRTR1
SCHEMBL7402277 0.86 MAPT (0.42) HTTSMN1; SMN2ALDH1A1HTR4CYP1A2
SCHEMBL8128873 0.85 OPRK1 (0.39) MEN1KMT2AALDH1A1HTR4CYP1A2
SCHEMBL7402582 0.85 HTR4 (0.39) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7397093 0.85 KDM1A (0.39) KMT2AKCNH2KDM1AHCRTR1HCRTR2
SCHEMBL7398676 0.85 KDM1A (0.40) KMT2AKDM1AHCRTR1HCRTR2ACKR3

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