SCHEMBL19737030

SCHEMBL19737030

C[n+]1cc(N)c(C(O)CCCN)c(N)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL19737026 0.91
SCHEMBL19736675 0.82 TAAR1 (0.33)
SCHEMBL19737023 0.77
SCHEMBL19736764 0.76 ALDH1A1 (0.36) HTR2AHRH1
SCHEMBL19736891 0.75
SCHEMBL19737031 0.69
SCHEMBL19736670 0.69
SCHEMBL19736889 0.68
SCHEMBL19737022 0.67 TSHR (0.31)
SCHEMBL19737027 0.66 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017218886-A1 COMPOSITIONS AND METHODS FOR REACTIVATING CHOLINESTERASES THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2017-12-21 WO disclosed