SCHEMBL7007085

SCHEMBL7007085

CS(=O)(=O)C1N(c2nc3cc(F)ccc3s2)c2ccccc2C12CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.39
LMNA P02545 1/20 0.35
DYRK1A Q13627 1/20 0.34
HTR6 P50406 1/20 0.34
SLC11A2 P49281 2/20 0.34
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
P2RX3 P56373 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
SCHEMBL7004742 0.80 MAPT (0.37) LMNARAB9A
SCHEMBL7009460 0.70 HCRTR2 (0.34) LMNANPC1RAB9AHCRTR1HCRTR2
SCHEMBL7144062 0.69 KMT2A (0.40) NPC1RAB9A
SCHEMBL7012737 0.68 GABRP (0.45) HTR6HCRTR1HCRTR2
SCHEMBL7013385 0.68 NPY5R (0.38) NPC1TSHRRAB9AP2RX3
SCHEMBL7004741 0.67 HTR7 (0.34) TSHR
SCHEMBL7011132 0.67 CYP1A2 (0.34) LMNAHTR6TSHR
SCHEMBL7009877 0.67 HTR7 (0.36) LMNAHTR6
SCHEMBL7151385 0.66 NPY5R (0.38) HTR6NPC1RAB9A
SCHEMBL16860861 0.65 NOTUM (0.36) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 EP disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed