SCHEMBL24465407

SCHEMBL24465407

CC[N+](CC)(CC)CCOc1cccc(C[N+](C)(C)CCOc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.65
CHRNB4 P30926 10/20 0.65
CHRNA3 P32297 10/20 0.65
CHRNB2 P17787 7/20 0.65
CHRNA4 P43681 7/20 0.65
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CHRNA10 Q9GZZ6 2/20 0.50
CHRNA9 Q9UGM1 2/20 0.50
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
Hydrochloric Acid SCHEMBL6270030 0.85 CHRNA7 (0.61) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Bephenium SCHEMBL44590 0.82 CHRM2 (0.58) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Bephenium SCHEMBL9181734 0.81 SMN1; SMN2 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9183119 0.81 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Bephenium SCHEMBL9118297 0.81 HTT (0.58) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13385235 0.81 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11423649 0.79 CHRNA7 (0.96) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9187376 0.77 CHRM2 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31436735 0.77 CHRNA7 (0.58) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9180609 0.75 DNM1 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed