SCHEMBL8575355

SCHEMBL8575355

CCCNC(=O)NC1CCCc2ccc(CC)cc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
EPHX2 P34913 4/20 0.53
CTSD P07339 1/20 0.48
BACE1 P56817 1/20 0.48
TAOK3 Q9H2K8 5/20 0.44
TAOK1 Q7L7X3 4/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
EPHX1 P07099 1/20 0.43
DHODH Q02127 1/20 0.42

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
SCHEMBL8990805 0.82 MTNR1A (0.52) HTT
SCHEMBL8573856 0.82 MTNR1A (0.52) HTT
SCHEMBL11924853 0.81 CTSD (0.51) HTTCTSDBACE1ALDH1A1KMT2A
SCHEMBL10289743 0.80 CTSD (0.49) HTTCTSDBACE1ALDH1A1KMT2A
SCHEMBL10289744 0.78 BACE1 (0.50) HTTCTSDBACE1ALDH1A1KMT2A
SCHEMBL8312130 0.76 CTSD (0.47) CTSDBACE1OPRK1
SCHEMBL8576126 0.75 MTNR1A (0.52)
SCHEMBL8277766 0.75 BACE1 (0.46) HTTCTSDBACE1ALDH1A1OPRK1
SCHEMBL8573593 0.74 MTNR1A (0.51) HTT
SCHEMBL8573589 0.74 MTNR1A (0.51) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed