SCHEMBL21254005

SCHEMBL21254005

Cc1ccc(N2CC[N+](C)(CCN)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRNB2 P17787 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL18459551 0.81 CHRNA7 (0.42) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
SCHEMBL16926328 0.78 CHRNA7 (0.46) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
SCHEMBL19361277 0.73 MAPK1 (0.44) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL18459553 0.73 CHRNA7 (0.38) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
SCHEMBL82096 0.73 ADRB1 (0.52) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
SCHEMBL5351218 0.72 MAPT (0.47) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL18459294 0.72 CHRNA7 (0.40) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
SCHEMBL18459552 0.71 CHRNA7 (0.37) CHRNA7ADRB1CYP3A4ALOX15CHRNB2
Hydrochloric Acid SCHEMBL5349721 0.71 MAPT (0.46) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL10063748 0.71 ADRB1 (0.70) ADRB1ALOX15MAPK1HSD17B10MEN1

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
EP-3250048-B1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF CADENA BIO INC (US) 2019-08-14 EP disclosed