SCHEMBL7709292

SCHEMBL7709292

CN(Cc1ccc(F)cc1)C(=O)Cc1nc(S(=O)(=O)Cc2ccccc2)c2ccccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 1.00
HCRTR1 O43613 6/20 0.66
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSPO P30536 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7708524 0.85 HCRTR2 (0.74) HCRTR2HCRTR1LMNATP53TSPO
SCHEMBL7710901 0.79 HCRTR2 (1.00) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL2594714 0.79 HCRTR2 (0.64) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL7706361 0.77 HCRTR2 (0.62) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL7709453 0.77 HCRTR2 (1.00) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL7701854 0.73 HCRTR2 (0.86) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL7707423 0.72 HCRTR2 (1.00) HCRTR2HCRTR1KMT2AMAPTALDH1A1
SCHEMBL14102410 0.71 RAB9A (0.62) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL7709056 0.71 HCRTR2 (0.82) HCRTR2HCRTR1KMT2AMAPTLMNA
SCHEMBL2594733 0.70 HCRTR1 (0.96) HCRTR2HCRTR1KMT2AMAPTLMNA

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-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed