SCHEMBL7420724

SCHEMBL7420724

CCOC(=O)NC1Cc2ccccc2C1Oc1ccc(C(C)(C)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC9A3 P48764 4/20 0.37
GRM7 Q14831 2/20 0.37
EPHX2 P34913 2/20 0.36
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
CACNA1G O43497 1/20 0.33
CYP2D6 P10635 1/20 0.33
PPARG P37231 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL7425984 1.00 ATM (0.46) ATMSLC6A2SLC6A4SLC9A3GRM7
SCHEMBL7373603 0.84 ATM (0.55) ATMSLC6A2SLC6A4SLC9A3SMN1; SMN2
SCHEMBL7419877 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC9A3GRM7CYP2D6
SCHEMBL7419876 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC9A3GRM7CYP2D6
SCHEMBL7367127 0.79 ATM (0.51) ATMSMN1; SMN2
SCHEMBL7367128 0.79 ATM (0.51) ATMSMN1; SMN2
SCHEMBL8638808 0.79 ATM (0.51) ATMSMN1; SMN2
SCHEMBL8637606 0.77 SLC6A2 (0.44) ATMSLC6A2SLC6A4SLC9A3EPHX2
SCHEMBL7763167 0.76 ATM (0.55) ATMSLC6A2SLC6A4SMN1; SMN2DRD2
SCHEMBL7375062 0.74 KDM1A (0.46) ATMSLC6A2SLC6A4SLC9A3EPHX2

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-1996002494-A1 BENZOCYCLOALKYLAMINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-01 WO disclosed