SCHEMBL3715299

SCHEMBL3715299

CC(O)Cc1ccc(C(=O)O)cn1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.49
HCAR2 Q8TDS4 2/20 0.49
P4HA1 P13674 2/20 0.47
P4HTM Q9NXG6 2/20 0.47
MAPT P10636 1/20 0.46
MIF P14174 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL28396260 0.98 HCAR3 (0.50) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL1424958 0.86 HCAR3 (0.55) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL27799402 0.84 P4HA1 (0.52) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL28396259 0.83 HCAR3 (0.49) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL25933782 0.82 HCAR3 (0.51) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL3715093 0.81 MAPK1 (0.54) HCAR3MAPTALDH1A1
SCHEMBL19304334 0.79 P4HA1 (0.50) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL344135 0.77 MAPT (0.58) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL3730566 0.77 MAPK1 (0.53) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL24347853 0.75 MAPT (0.49) HCAR3HCAR2P4HA1P4HTMMAPT

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-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed