SCHEMBL3812017

SCHEMBL3812017

CCN(CC)CCOCCc1ccc2c(c1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.43
▸ CHRM2 P08172 8/20 0.43
▸ CHRM1 P11229 7/20 0.43
▸ DRD3 P35462 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
Hydrochloric Acid SCHEMBL3817536 0.99 BIRC5 (0.43) BIRC5CHRM2CHRM1DRD3KDM4E
SCHEMBL8690554 0.85 SLC6A4 (0.42) ALDH1A1SIGMAR1CYP1A2KMT2AKCNH2
SCHEMBL2097540 0.83 NPC1 (0.41) KDM4EALDH1A1TSHRTDP1
SCHEMBL3811595 0.76 TRPM8 (0.46) ALDH1A1TSHRTDP1KMT2A
SCHEMBL3817577 0.74 SIGMAR1 (0.50) BIRC5CHRM2CHRM1KDM4ESIGMAR1
SCHEMBL3809815 0.73 BIRC5 (0.43) BIRC5ALDH1A1TSHRHTT
SCHEMBL3810344 0.73 TAAR1 (0.49) DRD3TSHR
SCHEMBL19158886 0.72 NPC1 (0.45) DRD3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3813266 0.72 BIRC5 (0.42) BIRC5ALDH1A1TSHRHTT
SCHEMBL30527517 0.72 CYP2D6 (0.50) BIRC5CHRM2KDM4EALDH1A1SLC22A1

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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