SCHEMBL14489162

SCHEMBL14489162

COc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](C)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR1A P08908 1/20 0.45
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP19A1 P11511 1/20 0.43
HTR2A P28223 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL605742 0.85 HTR2A (0.45) NPY5RSIGMAR1HTR1ANQO2MTNR1A
SCHEMBL1346063 0.82 NQO2 (0.48) NPY5RSIGMAR1HTR1ANQO2MTNR1A
SCHEMBL607858 0.81 MTNR1A (0.48) NPY5RNQO2MTNR1AMTNR1B
SCHEMBL611892 0.80 SIGMAR1 (0.47) SIGMAR1HTR1AOPRM1OPRD1SLC6A2
SCHEMBL1346374 0.79 NQO2 (0.48) NPY5RSIGMAR1HTR1ANQO2MTNR1A
SCHEMBL13151461 0.78 NPY5R (0.62) NPY5RSIGMAR1HTR1A
SCHEMBL14489391 0.78 OPRM1 (0.44) SIGMAR1HTR1ANQO2MTNR1AMTNR1B
SCHEMBL16652424 0.77 SLC6A9 (0.53) NPY5RSIGMAR1HTR1AHTR2A
SCHEMBL14957577 0.77 SLC6A9 (0.53) NPY5RSIGMAR1HTR1AHTR2A
SCHEMBL603655 0.77 ATM (0.45) NPY5RNQO2MTNR1AMTNR1B

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
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed