SCHEMBL10428577

SCHEMBL10428577

COCOc1ccc(CNC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
NR3C1 P04150 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2J2 P51589 1/20 0.46
PDE4D Q08499 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASR P41180 1/20 0.42
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23509372 0.81 KMT2A (0.61) BCHEL3MBTL1MEN1KMT2ATDP1
SCHEMBL278630 0.81 CASR (0.58) L3MBTL1MEN1KMT2ACASRTDP1
SCHEMBL23509371 0.80 MEN1 (0.56) BCHEADRB2ADRB1NR3C1CYP2D6
Hydrochloric Acid SCHEMBL14343449 0.79 CASR (0.57) L3MBTL1MEN1KMT2ACASRTDP1
SCHEMBL12890742 0.79 LMNA (0.49) L3MBTL1MEN1KMT2A
SCHEMBL3271284 0.78 SIGMAR1 (0.48) CYP2D6CASRNPSR1
SCHEMBL22928989 0.77 SLC2A1 (0.42) BCHECYP2D6L3MBTL1CASR
SCHEMBL9781350 0.77 MEN1 (0.46) ADRB2ADRB1NR3C1CYP2D6ADRA1A
SCHEMBL2450970 0.76 BCHE (0.71) BCHEMEN1KMT2ANPSR1
SCHEMBL3589633 0.76 NQO1 (0.50) TDP1

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-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed