SCHEMBL7280507

SCHEMBL7280507

O=C(CCc1ccccc1)N1CCN(C(=O)COCc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.70
NPC1 O15118 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ME2 P23368 1/20 0.60
ME1 P48163 1/20 0.60
ME3 Q16798 1/20 0.60
FKBP1A P62942 1/20 0.60
POLB P06746 2/20 0.58
GFER P55789 1/20 0.56

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
SCHEMBL7131839 0.86 NPC1 (0.86) NPC1TDP1TSHRL3MBTL1ME2
SCHEMBL13315137 0.84 GRM5 (0.73) GRM5NPC1TDP1
SCHEMBL13504007 0.84 GRM5 (0.72) GRM5TDP1L3MBTL1POLB
SCHEMBL7278874 0.83 SIGMAR1 (0.67) GRM5TSHR
SCHEMBL4830376 0.83 GRM5 (0.71) GRM5NPC1TDP1POLB
SCHEMBL1946924 0.82 GRM5 (0.70) GRM5POLB
SCHEMBL1902638 0.82 GRM5 (1.00) GRM5NPC1ME2ME1ME3
SCHEMBL13548728 0.82 L3MBTL1 (0.79) NPC1TDP1TSHRL3MBTL1ME2
SCHEMBL21322119 0.81 GRM5 (0.60) GRM5NPC1TDP1TSHRL3MBTL1
SCHEMBL1824981 0.81 GRM5 (0.68) GRM5

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
US-5281598-A Psychological disorders AKZO N.V. (NL) 1994-01-25 US disclosed
EP-0566189-A1 Psychotropic piperazine derivative AKZO N.V. (NL) 1993-10-20 EP disclosed