SCHEMBL7010863

SCHEMBL7010863

CCc1ccc2scc(C3CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
SLC6A4 P31645 2/20 0.46
DRD2 P14416 1/20 0.46
FFAR1 O14842 3/20 0.41
HTR5A P47898 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP17A1 P05093 1/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A6 P11509 2/20 0.32
TRPA1 O75762 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL8820684 0.90 MTNR1A (0.41) MTNR1ASLC6A4DRD2FFAR1
SCHEMBL7014782 0.81 MTNR1A (0.41) MTNR1ASLC6A4DRD2FFAR1HTR5A
SCHEMBL7011548 0.80 MTNR1A (0.43) MTNR1ASLC6A4DRD2HTR5ANPC1
SCHEMBL7228652 0.80 MTNR1A (0.43) MTNR1ASLC6A4DRD2HTR5ANPC1
SCHEMBL7006204 0.79 MTNR1A (0.40) MTNR1ASLC6A4DRD2FFAR1HTR5A
SCHEMBL8819825 0.78 SLC6A4 (0.41) MTNR1ASLC6A4DRD2
SCHEMBL10224643 0.78 MTNR1A (0.62) MTNR1AHTR5ACYP2A6MTNR1B
SCHEMBL7237119 0.76 MTNR1A (0.40) MTNR1ASLC6A4CYP2A6
SCHEMBL7237123 0.76 MTNR1A (0.40) MTNR1ASLC6A4CYP2A6
SCHEMBL9613202 0.73 MTNR1A (0.45) MTNR1ASLC6A4NPC1RAB9ACYP2A6

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
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed