SCHEMBL9433700

SCHEMBL9433700

Nc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.67
DRD2 P14416 2/20 0.66
DRD3 P35462 1/20 0.66
ABCB1 P08183 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
OPRK1 P41145 1/20 0.59
HPGD P15428 1/20 0.58
PRMT5 O14744 4/20 0.58
WDR77 Q9BQA1 3/20 0.58
LMNA P02545 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL14720609 0.90 DRD2 (0.72) OPRM1DRD2DRD3OPRK1HPGD
SCHEMBL9433423 0.83 SMN1; SMN2 (0.73) OPRM1DRD2DRD3ABCB1ABCG2
SCHEMBL15835899 0.82 DRD2 (0.80) OPRM1DRD2DRD3HPGDPRMT5
SCHEMBL9433141 0.82 ABCB1 (0.69) DRD2DRD3ABCB1ABCG2SIGMAR1
SCHEMBL9434806 0.82 PRMT5 (0.71) OPRM1DRD2DRD3ABCB1ABCG2
SCHEMBL14722227 0.81 DRD2 (0.86) OPRM1DRD2DRD3PRMT5WDR77
SCHEMBL27246707 0.80 HDAC3 (0.61) OPRM1DRD2DRD3PRMT5WDR77
SCHEMBL4664187 0.80 OPRM1 (0.66) OPRM1DRD2DRD3PRMT5WDR77
SCHEMBL13135946 0.79 ALOX15 (0.62) OPRM1DRD2DRD3MEN1KMT2A
SCHEMBL3408343 0.78 ALDH1A1 (0.71) HPGDCD274MEN1KMT2AHDAC8

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-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 US disclosed