SCHEMBL3817676

SCHEMBL3817676

CN(C)CCOCCc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.51
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ CALM1 P0DP23 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44

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 SCHEMBL3812346 0.92 KDM4E (0.52) CYP3A4
SCHEMBL3810344 0.86 TAAR1 (0.49) TAAR1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL25519810 0.84 TAAR1 (0.61) TAAR1HTR2AHTR2CHTR2BCALM1
SCHEMBL30101707 0.84 TAAR1 (0.61) TAAR1HTR2AHTR2CHTR2BCALM1
SCHEMBL27281480 0.81 CYP3A4 (0.57) TAAR1CALM1CYP3A4
SCHEMBL3816453 0.80 TAAR1 (0.56) TAAR1CALM1CYP3A4SLC6A4
SCHEMBL4066482 0.78 TAAR1 (0.61) TAAR1CALM1CYP3A4SLC6A2SLC6A4
SCHEMBL3809815 0.77 BIRC5 (0.43) TAAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL3813266 0.76 BIRC5 (0.42) TAAR1HTR2AHTR2CHTR2B
SCHEMBL3809994 0.76 TAAR1 (0.48) TAAR1CALM1CYP3A4SLC6A2SLC6A4

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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