SCHEMBL19960416

SCHEMBL19960416

NC(=O)C1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.60
ANPEP P15144 2/20 0.36
FFAR1 O14842 1/20 0.36
ACE P12821 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRK1 P41145 1/20 0.36
PDE6D O43924 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PARP1 P09874 1/20 0.34
NOTUM Q6P988 1/20 0.33
KCNH2 Q12809 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
SCHEMBL19953501 0.88 GRM7 (0.61) GRM7FFAR1ACEOPRM1OPRL1
SCHEMBL19953496 0.88 GRM7 (0.61) GRM7FFAR1ACEOPRM1OPRL1
SCHEMBL19960496 0.86 GRM7 (0.60) GRM7ANPEPFFAR1ACEOPRM1
SCHEMBL19960417 0.83 GRM7 (0.66) GRM7FFAR1ACEOPRM1OPRL1
SCHEMBL20113096 0.81 GRM7 (0.55) GRM7FFAR1KCNH2
SCHEMBL19960922 0.81 CYP2C9 (0.43) GRM7ACEOPRM1OPRL1OPRK1
SCHEMBL19953513 0.80 GRM7 (0.62) GRM7
SCHEMBL19953654 0.80 GRM7 (0.62) GRM7
SCHEMBL19960661 0.80 GRM7 (0.53) GRM7FFAR1ACEHTR2AHTR2C
SCHEMBL19953548 0.80 GRM7 (0.53) GRM7FFAR1ACEHTR2AHTR2C

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