SCHEMBL3810344

SCHEMBL3810344

CCN(CC)CCOCCc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ HTR2A P28223 5/20 0.48
▸ HTR2C P28335 5/20 0.48
▸ HTR2B P41595 5/20 0.48
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR7 P34969 1/20 0.45

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
SCHEMBL3809815 0.92 BIRC5 (0.43) TAAR1HTR2AHTR2CHTR2BTSHR
Hydrochloric Acid SCHEMBL3813266 0.90 BIRC5 (0.42) TAAR1HTR2AHTR2CHTR2BTSHR
SCHEMBL3817676 0.86 TAAR1 (0.51) TAAR1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL27281480 0.81 CYP3A4 (0.57) TAAR1TSHR
Oxalic Acid SCHEMBL3812346 0.79 KDM4E (0.52) TSHRPOLBSMN1; SMN2
SCHEMBL3816453 0.78 TAAR1 (0.56) TAAR1SLC6A4
SCHEMBL14376648 0.78 TSHR (0.56) HTR2AHTR2CHTR2BTSHRTP53
SCHEMBL8623598 0.76 TSHR (0.52) TAAR1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL4066482 0.76 TAAR1 (0.61) TAAR1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL13974809 0.75 TAAR1 (0.56) TAAR1HTR2AHTR2CHTR2B

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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