SCHEMBL19960684

SCHEMBL19960684

C=C(C1CC1)N1Cc2ccccc2C(C(=O)NC2Cc3ccccc3C2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
FABP5 Q01469 1/20 0.38
EPHX2 P34913 1/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
MAPT P10636 1/20 0.35
GRM7 Q14831 3/20 0.34
POLB P06746 1/20 0.34
KCNQ2 O43526 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AVPR1A P37288 1/20 0.34
NAMPT P43490 1/20 0.33

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) HRH3FABP5MTNR1AMTNR1BMAPT
SCHEMBL19960688 0.80 FABP5 (0.42) HRH3FABP5EPHX2MTNR1AMTNR1B
SCHEMBL19953754 0.78 NAMPT (0.49) HRH3FABP5EPHX2NAMPT
SCHEMBL19960673 0.77 FABP5 (0.43) HRH3FABP5MTNR1AMTNR1BMAPT
SCHEMBL19960680 0.75 DRD2 (0.44) HRH3FABP5MTNR1AMTNR1BMAPT
SCHEMBL19960853 0.75 FABP5 (0.38) HRH3FABP5EPHX2MTNR1AMTNR1B
SCHEMBL19953662 0.75 EPHX2 (0.43) HRH3FABP5EPHX2MTNR1AMTNR1B
SCHEMBL19960635 0.70 FABP5 (0.46) HRH3FABP5MTNR1AMTNR1BMAPT
SCHEMBL19960521 0.69 FABP5 (0.44) HRH3FABP5EPHX2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL19953663 0.69 FABP5 (0.45) HRH3FABP5MTNR1AMTNR1BMAPT

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