SCHEMBL7397803

SCHEMBL7397803

COCCN1CCC(CN(C(=O)O)c2ccccc2-c2nc(C)no2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.42
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 8/20 0.39
GSK3B P49841 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
Fumaric Acid SCHEMBL7400191 0.96 ACKR3 (0.40) ACKR3KMT2AHCRTR1HCRTR2GSK3B
Maleic Acid SCHEMBL7400186 0.96 ACKR3 (0.40) ACKR3KMT2AHCRTR1HCRTR2GSK3B
SCHEMBL7403466 0.89 ACKR3 (0.40) ACKR3KMT2AHCRTR1HCRTR2
SCHEMBL7399469 0.88 ACKR3 (0.40) ACKR3KMT2AHCRTR1HCRTR2
SCHEMBL7397799 0.86 ACHE (0.46) BCHE
SCHEMBL8134001 0.86 SLC6A2 (0.38) ACKR3KMT2AHCRTR1HCRTR2KDM4E
SCHEMBL7398676 0.84 KDM1A (0.40) ACKR3KMT2AHCRTR1HCRTR2
SCHEMBL7398566 0.84 HCRTR1 (0.35) ACKR3KMT2AHCRTR1HCRTR2
SCHEMBL8836846 0.84 HCRTR1 (0.35) ACKR3KMT2AHCRTR1HCRTR2
SCHEMBL1039396 0.84 HTR4 (0.40) ACKR3KMT2AHCRTR1HCRTR2GSK3B

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 6 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
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US disclosed