SCHEMBL9856862

SCHEMBL9856862

COc1ccccc1CC(CCN(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
HRH1 P35367 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC3 Q16853 1/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
CYP2D6 P10635 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KCNH2 Q12809 3/20 0.45
HTR7 P34969 2/20 0.45
CYP3A4 P08684 1/20 0.44
CHRM2 P08172 3/20 0.43
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41

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
SCHEMBL9856935 0.83 SLC6A2 (0.49) HTR2AHRH1SLC6A2SLC6A4CYP2D6
SCHEMBL9857086 0.80 HTR2A (0.53) HTR2AHRH1SLC6A2SLC6A4CYP2D6
SCHEMBL9856891 0.80 HTR2A (0.53) HTR2AHRH1SLC6A2SLC6A4CYP2D6
SCHEMBL9856897 0.79 SLC6A2 (0.57) HTR2AHRH1MEN1KMT2AATM
SCHEMBL9856563 0.79 TAAR1 (0.53) HTR2AHRH1L3MBTL1AOC3SLC6A2
SCHEMBL9856513 0.79 TAAR1 (0.53) HTR2AHRH1MEN1KMT2AAOC3
SCHEMBL9856826 0.79 TAAR1 (0.53) HTR2AHRH1SLC6A2SLC6A4CYP2D6
SCHEMBL9857121 0.79 KDM4E (0.42) HRH1MEN1KMT2AAOC3SLC6A2
SCHEMBL9802284 0.78 L3MBTL1 (0.51) MEN1KMT2ACRHBPCRHR2ATM
SCHEMBL9857006 0.78 HTR2A (0.50) HTR2AHRH1SLC6A2SLC6A4CYP2D6

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed