SCHEMBL19960680

SCHEMBL19960680

O=C(NC1Cc2ccccc2C1)C1CN(CC2CC2)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
HRH3 Q9Y5N1 3/20 0.41
CCR1 P32246 3/20 0.41
BCL2 P10415 1/20 0.39
MAPT P10636 1/20 0.39
FABP5 Q01469 1/20 0.38
PDE8A O60658 1/20 0.37
PDE8B O95263 1/20 0.37
MC4R P32245 1/20 0.37
LTA4H P09960 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
GRM7 Q14831 1/20 0.37

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
SCHEMBL19960916 0.81 PRMT5 (0.46) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19960853 0.76 FABP5 (0.38) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19953662 0.76 EPHX2 (0.43) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19960684 0.75 HRH3 (0.39) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19960673 0.74 FABP5 (0.43) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19953754 0.72 NAMPT (0.49) HRH3FABP5
SCHEMBL19960688 0.72 FABP5 (0.42) HRH3MAPTFABP5MTNR1AMTNR1B
SCHEMBL19960664 0.71 HDAC8 (0.43) DRD2HRH3CCR1MTNR1AMTNR1B
SCHEMBL19953513 0.71 GRM7 (0.62) HRH3BCL2MAPTFABP5MTNR1A
SCHEMBL19953654 0.71 GRM7 (0.62) HRH3BCL2MAPTFABP5MTNR1A

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-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed