SCHEMBL8035005

SCHEMBL8035005

CCCCc1ccc2c(c1)C(CCCN)CCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
ABCB1 P08183 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37

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
SCHEMBL8575802 0.95 CTSD (0.41) SIGMAR1CTSDBACE1DRD2SLC6A2
SCHEMBL8521537 0.95 CTSD (0.41) SIGMAR1CTSDBACE1DRD2SLC6A2
SCHEMBL8031506 0.94 SIGMAR1 (0.41) SIGMAR1ABCB1DRD2
SCHEMBL8033089 0.88 SIGMAR1 (0.42) SIGMAR1ABCB1DRD2
SCHEMBL8568956 0.87 MTNR1A (0.38) SIGMAR1BACE1
SCHEMBL8568951 0.87 MTNR1A (0.38) SIGMAR1BACE1
SCHEMBL8569498 0.81 MTNR1A (0.39) SIGMAR1DRD2
SCHEMBL8521850 0.81 MTNR1A (0.39) SIGMAR1DRD2
SCHEMBL8035039 0.80 MTNR1A (0.50) CTSDBACE1TAOK1TAOK3
SCHEMBL8021748 0.80 SIGMAR1 (0.44) SIGMAR1ABCB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
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
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed