SCHEMBL3808077

SCHEMBL3808077

CCN(CC)C(=O)COCCc1ccc2ccsc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TRPM8 Q7Z2W7 8/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL6769310 0.90 SIGMAR1 (0.47) ALDH1A1OPRM1OPRK1TRPM8SIGMAR1
SCHEMBL3807939 0.84 SIGMAR1 (0.47) ALDH1A1OPRM1OPRK1TRPM8SIGMAR1
SCHEMBL47953 0.82 SIGMAR1 (0.43) OPRM1OPRK1SIGMAR1MRGPRX4
SCHEMBL3807880 0.80 TRPM8 (0.35) ALDH1A1TRPM8MRGPRX4TSHRSLC6A2
SCHEMBL3808261 0.80 SIGMAR1 (0.47) OPRM1OPRK1SIGMAR1MRGPRX4SLC6A2
Oxalic Acid SCHEMBL3816149 0.79 KDM4E (0.40) ALDH1A1OPRM1OPRK1SIGMAR1MRGPRX4
SCHEMBL3807722 0.77 BIRC5 (0.42) OPRM1OPRK1SIGMAR1
SCHEMBL3817509 0.75 OPRM1 (0.35) OPRM1OPRK1SIGMAR1MRGPRX4SLC6A4
SCHEMBL3818290 0.74 HTT (0.47) ALDH1A1SLC6A2SLC6A4
SCHEMBL27666022 0.73 SIGMAR1 (0.40) OPRM1OPRK1SIGMAR1MRGPRX4CASP3

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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