SCHEMBL3826475

SCHEMBL3826475

OCCCNCCOCCc1ccc2sccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
CYP2A6 P11509 2/20 0.42
TPSAB1 Q15661 1/20 0.41
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 2/20 0.33
RAD52 P43351 1/20 0.33
PAX8 Q06710 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TSHR P16473 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL48070 0.87 SIGMAR1 (0.64) SIGMAR1CYP2A6TPSAB1PDE3BPDE3A
SCHEMBL3812143 0.85 SIGMAR1 (0.50) SIGMAR1CYP2A6TPSAB1KDM4ERAD52
SCHEMBL3813009 0.84 SIGMAR1 (0.60) SIGMAR1CYP2A6PDE10APTPRCPTPN6
SCHEMBL3817648 0.81 SIGMAR1 (0.49) SIGMAR1CYP2A6TPSAB1KDM4ERAD52
SCHEMBL3816651 0.80 SIGMAR1 (0.53) SIGMAR1CYP2A6TPSAB1KDM4EPOLB
SCHEMBL16331135 0.80 SIGMAR1 (0.52) SIGMAR1CYP2A6TPSAB1KDM4ETSHR
SCHEMBL3812339 0.80 SIGMAR1 (0.48) SIGMAR1CYP2A6TPSAB1RAD52PAX8
SCHEMBL13873189 0.80 SIGMAR1 (0.57) SIGMAR1CYP2A6PDE10APTPRCPTPN6
SCHEMBL3815301 0.78 SIGMAR1 (0.49) SIGMAR1CYP2A6TPSAB1KDM4EPDE10A
SCHEMBL3810177 0.78 SIGMAR1 (0.52) SIGMAR1CYP2A6KDM4EPDE3BPDE3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed