SCHEMBL7228652

SCHEMBL7228652

CCc1ccc2scc([C@@H]3C[C@H]3N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
SLC6A4 P31645 2/20 0.39
KDM1A O60341 5/20 0.38
HTR5A P47898 1/20 0.34
CYP2A6 P11509 2/20 0.33
DRD2 P14416 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1B Q8NB78 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL7011548 1.00 MTNR1A (0.43) MTNR1ASLC6A4KDM1AHTR5ACYP2A6
SCHEMBL7014782 0.89 MTNR1A (0.41) MTNR1ASLC6A4KDM1AHTR5ACYP2A6
SCHEMBL7006204 0.86 MTNR1A (0.40) MTNR1ASLC6A4HTR5ACYP2A6DRD2
SCHEMBL7237119 0.81 MTNR1A (0.40) MTNR1ASLC6A4CYP2A6
SCHEMBL7237123 0.81 MTNR1A (0.40) MTNR1ASLC6A4CYP2A6
SCHEMBL7010863 0.80 MTNR1A (0.46) MTNR1ASLC6A4HTR5ACYP2A6DRD2
SCHEMBL7007293 0.77 HTR2A (0.55) MTNR1ASLC6A4KDM1ANPC1RAB9A
SCHEMBL7230872 0.77 HTR2A (0.55) MTNR1ASLC6A4KDM1ANPC1RAB9A
SCHEMBL8820684 0.74 MTNR1A (0.41) MTNR1ASLC6A4DRD2HTR2C
SCHEMBL10224643 0.74 MTNR1A (0.62) MTNR1AHTR5ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed