SCHEMBL5796366

SCHEMBL5796366

CCCCCN1CCN(C)C1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
GBA2 Q9HCG7 12/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL2928580 0.98 EBP (0.41) GBA1EBPSIGMAR1S1PR4S1PR1
SCHEMBL5793439 0.98 EBP (0.41) GBA1EBPSIGMAR1S1PR4S1PR1
SCHEMBL5797002 0.98 EBP (0.41) GBA1EBPSIGMAR1S1PR4S1PR1
SCHEMBL5793436 0.98 EBP (0.41) GBA1EBPSIGMAR1S1PR4S1PR1
SCHEMBL5796046 0.98 EBP (0.41) GBA1EBPSIGMAR1S1PR4S1PR1
Iodide SCHEMBL11780592 0.96 GBA1 (0.40) GBA1EBPSIGMAR1S1PR4S1PR1
Water SCHEMBL11786352 0.96 GBA1 (0.40) GBA1EBPSIGMAR1S1PR4S1PR1
Iodide SCHEMBL28957904 0.96 GBA1 (0.40) GBA1EBPSIGMAR1S1PR4S1PR1
Hydrochloric Acid SCHEMBL2008795 0.96 GNAI3 (0.43) GBA1EBPSIGMAR1S1PR4S1PR1
Bromide SCHEMBL11783411 0.96 GBA1 (0.40) GBA1EBPSIGMAR1S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006027070-A1 METHOD FOR THE PRODUCTION OF HETEROCYCLIC QUATERNARY AMMONIUM COMPOUNDS AND/OR GUANIDINE COMPOUNDS HAVING HIGH PURITY BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed
WO-2006027069-A1 METHOD FOR PRODUCING HETEROCYCLIC QUATERNARY AMMONIUM AND/OR GUANIDINIUM COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed