SCHEMBL3810164

SCHEMBL3810164

O=C(COCCc1ccc2c(c1)OCCO2)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ FKBP1A P62942 1/20 0.43
▸ PKM P14618 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL3815431 0.81 TRPV1 (0.67) LMNAALDH1A1TRPV1FKBP1ASMN1; SMN2
SCHEMBL3815987 0.79 TSHR (0.50) LMNAALDH1A1PKMGAASMN1; SMN2
SCHEMBL3812957 0.78 TPSAB1 (0.42) LMNASMN1; SMN2MAPTTPSAB1TPSD1
SCHEMBL3813444 0.77 TPSAB1 (0.40) TPSAB1TPSD1TPSG1SLC6A2SLC6A4
SCHEMBL3818290 0.72 HTT (0.47) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL9426173 0.72 TRPV1 (0.68) ALDH1A1TRPV1SMN1; SMN2MEN1KMT2A
SCHEMBL3771402 0.72 SIGMAR1 (0.61) CYP2D6SLC6A2SLC6A4ADRA1ASLC6A3
SCHEMBL3812391 0.71 CYP3A4 (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14085095 0.69 HPGD (0.73) LMNAALDH1A1PKMGAASMN1; SMN2
SCHEMBL3143023 0.69 CYP2D6 (0.68) PKMGAASMN1; SMN2KDM4EMEN1

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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