SCHEMBL8021748

SCHEMBL8021748

Cc1ccc2c(c1)C(CCCN)CCC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
ABCB1 P08183 1/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
MTNR1A P48039 2/20 0.39
NQO2 P16083 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL8566958 0.92 MTNR1A (0.41) SIGMAR1ABCB1MTNR1ANQO2MTNR1B
SCHEMBL8521248 0.92 MTNR1A (0.41) SIGMAR1ABCB1MTNR1ANQO2MTNR1B
SCHEMBL8033089 0.83 SIGMAR1 (0.42) SIGMAR1ABCB1DRD2DRD4MTNR1A
SCHEMBL8572116 0.82 SIGMAR1 (0.64) SIGMAR1ABCB1DRD2DRD4MTNR1A
SCHEMBL18898091 0.82 SIGMAR1 (0.64) SIGMAR1ABCB1DRD2DRD4MTNR1A
SCHEMBL8031506 0.81 SIGMAR1 (0.41) SIGMAR1ABCB1DRD2DRD4
SCHEMBL8035005 0.80 SIGMAR1 (0.40) SIGMAR1ABCB1DRD2
SCHEMBL18898255 0.79 SIGMAR1 (0.41) SIGMAR1ABCB1DRD2
SCHEMBL8035010 0.78 MTNR1A (0.55) MTNR1ANQO2MTNR1B
SCHEMBL22389127 0.75 KDM2B (0.42) DRD2MTNR1ANQO2MTNR1B

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