SCHEMBL16612876

SCHEMBL16612876

NC(=O)c1[c]cn(CCn2ccc3ccc(F)cc32)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HCRTR2 O43614 1/20 0.38
HTR1A P08908 3/20 0.37
SLC6A4 P31645 1/20 0.36
KMO O15229 1/20 0.36
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
NPY5R Q15761 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
AR P10275 1/20 0.32
MTNR1A P48039 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
SCHEMBL16612854 0.84 MTNR1A (0.52) HTR2CHTR2AHTR7HCRTR2LMNA
SCHEMBL16612954 0.83 LMNA (0.53) HTR2CHTR2ALMNAMTNR1AMTNR1B
SCHEMBL16612745 0.83 HDAC6 (0.42) HTR2CHTR2AHCRTR2KMOLMNA
SCHEMBL16612831 0.80 HCRTR2 (0.42) HCRTR2MTNR1AMTNR1B
SCHEMBL12480072 0.80 HTR2A (0.41) HTR2CHTR2AHCRTR2KMOLMNA
SCHEMBL16613000 0.80 HTR2A (0.42) HTR2CHTR2AHTR7HCRTR2LMNA
SCHEMBL16612868 0.78 MTNR1A (0.49) HTR2CHTR2AHCRTR2LMNAMTNR1A
SCHEMBL16612628 0.78 HCRTR2 (0.43) HCRTR2MTNR1AMTNR1B
SCHEMBL16612936 0.78 MTNR1A (0.50) HTR2CHTR2AHTR7HCRTR2MTNR1A
SCHEMBL16612705 0.77 HCRTR2 (0.38) HCRTR2HTR1ASLC6A4LMNAAR

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
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP claimed