SCHEMBL9348338

SCHEMBL9348338

CCCC(N)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 6/20 0.53
▸ LMNA P02545 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ LTA4H P09960 3/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.43
▸ S1PR4 O95977 2/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ S1PR5 Q9H228 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 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
SCHEMBL2633041 1.00 SCN4A (0.53) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL29278496 0.91 SCN4A (0.49) SCN4ALMNAMAOAPTGS1LTA4H
Hydrochloric Acid SCHEMBL28935000 0.84 SLC2A1 (0.51) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL5286693 0.84 SCN4A (0.57) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL27548575 0.84 SCN4A (0.57) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL5025922 0.84 SCN4A (0.57) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL14499008 0.83 SCN4A (0.65) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL10876365 0.82 SCN4A (0.55) SCN4ALMNAMAOAPTGS1LTA4H
Hydrochloric Acid SCHEMBL11235994 0.81 SCN4A (0.53) SCN4ALMNAMAOAPTGS1LTA4H
SCHEMBL27692815 0.80 CHRNB2 (0.48) CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403952-A2 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 — — EP claimed
EP-0403952-B1 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEM WORKS LTD (IL) 1994-08-31 — — EP disclosed
US-5093526-A ENVIRONMENTALLY SAFE METHOD OF PREPARING A CERTAIN DIALKYLAMINE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1992-03-03 — — US disclosed
EP-0403952-A2 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 — — EP disclosed
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