SCHEMBL22248563

SCHEMBL22248563

NCC[C@H](N)CN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
CXCR4 P61073 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL2945288 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ANPEPERAP2POLBRAD52
SCHEMBL27698375 0.82 ACE2 (0.40) SMN1; SMN2ANPEPERAP2CXCR4
SCHEMBL10386726 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ANPEPERAP2POLBRAD52
SCHEMBL6659615 0.82 POLB (0.39) SMN1; SMN2ANPEPERAP2POLBRAD52
SCHEMBL9845960 0.79 SIGMAR1 (0.41) SMN1; SMN2CXCR4CHRM5CHRM3SIGMAR1
Ethylenediamine SCHEMBL9064149 0.78 SMN1; SMN2 (0.38) SMN1; SMN2ANPEPERAP2POLBRAD52
SCHEMBL7428169 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CXCR4CHRM5CHRM3SIGMAR1
SCHEMBL942695 0.77 ALOX15 (0.56) SMN1; SMN2SIGMAR1
SCHEMBL991697 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ANPEPERAP2POLBRAD52
SCHEMBL8761347 0.76 GNAO1 (0.41) SIGMAR1

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed