SCHEMBL3817509

SCHEMBL3817509

CN(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)COCCc1ccc2ccsc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ LTB4R Q15722 5/20 0.32
▸ LTB4R2 Q9NPC1 5/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL3812316 0.80 OPRM1 (0.35) OPRM1OPRK1SLC6A4
SCHEMBL3808077 0.75 ALDH1A1 (0.39) OPRM1OPRK1SIGMAR1MRGPRX4SLC6A4
SCHEMBL47953 0.74 SIGMAR1 (0.43) OPRM1OPRK1SIGMAR1MRGPRX4
SCHEMBL3808261 0.72 SIGMAR1 (0.47) OPRM1OPRK1SIGMAR1MRGPRX4SLC6A4
SCHEMBL3815885 0.71 CTNNB1 (0.36) SIGMAR1SLC6A4LTB4RLTB4R2KDM4E
Oxalic Acid SCHEMBL3816149 0.69 KDM4E (0.40) OPRM1OPRK1SIGMAR1MRGPRX4KDM4E
SCHEMBL3817603 0.69 SIGMAR1 (0.43) OPRM1OPRK1SIGMAR1MRGPRX4SLC6A4
SCHEMBL3812920 0.68 KIF11 (0.44) SIGMAR1HDAC6KDM4ETDP1BLM
SCHEMBL3817419 0.68 RAB9A (0.43) KDM4ESMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL3810680 0.67 SIGMAR1 (0.41) OPRM1OPRK1SIGMAR1MRGPRX4KDM4E

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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