SCHEMBL9797472

SCHEMBL9797472

Clc1cccc(OC2CN(CC3CC3)CCc3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
KDM2B Q8NHM5 4/20 0.41
HRH1 P35367 2/20 0.40
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 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
Oxalic Acid SCHEMBL9797281 0.94 KDM2B (0.46) SIGMAR1KDM2BHRH3OPRK1THRB
SCHEMBL9797369 0.84 SIGMAR1 (0.46) SIGMAR1KDM2BHRH3PRMT5WDR77
SCHEMBL9797229 0.84 LMNA (0.40) SIGMAR1HRH3PRMT5WDR77LMNA
SCHEMBL9797302 0.83 GAA (0.42) SIGMAR1PRMT5WDR77LMNAMAPK1
SCHEMBL9797767 0.83 SIGMAR1 (0.48) SIGMAR1
SCHEMBL9797486 0.82 MEN1 (0.42) SIGMAR1CYP2D6
SCHEMBL9154713 0.80 SLC6A4 (0.38) SIGMAR1PRMT5WDR77LMNAMAPK1
SCHEMBL9797514 0.80 HRH3 (0.42) SIGMAR1HRH1CYP2D6HRH3OPRK1
Oxalic Acid SCHEMBL9797491 0.79 OPRM1 (0.48) SIGMAR1HRH3
SCHEMBL9797184 0.78 SIGMAR1 (0.45) SIGMAR1KDM2BHRH1CYP2D6HRH3

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
US-4988690-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-29 US claimed