SCHEMBL3807722

SCHEMBL3807722

CCN(CC)CCOCCc1ccc2ccsc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SMN1; SMN2 Q16637 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
Oxalic Acid SCHEMBL3816149 0.93 KDM4E (0.40) BIRC5SIGMAR1KDM4ECYP1A2CYP2D6
SCHEMBL3807907 0.89 SIGMAR1 (0.51) BIRC5SIGMAR1HRH3KDM4ECYP1A2
SCHEMBL3816113 0.82 SIGMAR1 (0.55) BIRC5SIGMAR1HRH3KDM4E
SCHEMBL3810178 0.81 SIGMAR1 (0.49) BIRC5SIGMAR1KDM4ELMNAOPRM1
SCHEMBL3810680 0.81 SIGMAR1 (0.41) SIGMAR1KDM4ECYP1A2CYP2D6KCNH2
SCHEMBL3812405 0.80 SIGMAR1 (0.50) SIGMAR1KDM4ECYP2D6DRD3
SCHEMBL3816407 0.80 SIGMAR1 (0.53) BIRC5SIGMAR1
SCHEMBL3811794 0.79 SIGMAR1 (0.45) BIRC5SIGMAR1HRH3KDM4E
Hydrochloric Acid SCHEMBL3817320 0.79 SIGMAR1 (0.52) BIRC5SIGMAR1
Hydrochloric Acid SCHEMBL3818244 0.78 SIGMAR1 (0.44) BIRC5SIGMAR1HRH3KDM4EOPRM1

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
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