SCHEMBL7397208

SCHEMBL7397208

Cc1noc(-c2ccccc2N(C(=O)O)C2CCN(CCNS(C)(=O)=O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
OPRM1 P35372 6/20 0.39
HTR4 Q13639 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 2/20 0.38
OPRD1 P41143 3/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ACKR3 P25106 1/20 0.36
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7435681 0.99 KDM1A (0.40) KDM1AOPRM1HTR4CYP1A2CYP2C9
SCHEMBL1039396 0.87 HTR4 (0.40) KDM1AHTR4CYP1A2CYP2C9ALOX15
Maleic Acid SCHEMBL7401568 0.84 CARM1 (0.41) KDM1AHTR4CYP1A2CYP2C9ALOX15
SCHEMBL7398211 0.83 OPRM1 (0.50) OPRM1KMT2A
SCHEMBL7399420 0.82 HTT (0.37) KDM1AHTR4CYP1A2CYP2C9ALOX15
SCHEMBL8123035 0.81 CHRM3 (0.39) KDM1ACARM1PRMT6
SCHEMBL8836846 0.80 HCRTR1 (0.35) KDM1AOPRM1KCNH2CARM1PRMT6
Maleic Acid SCHEMBL8015447 0.79 CARM1 (0.38) PMP22KCNH2CARM1PRMT6KMT2A
Maleic Acid SCHEMBL7398825 0.79 SMN1; SMN2 (0.35) HTR4CYP1A2CYP2C9ALOX15NFKB1
Fumaric Acid SCHEMBL7398829 0.79 SMN1; SMN2 (0.35) HTR4CYP1A2CYP2C9ALOX15NFKB1

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