SCHEMBL10867697

SCHEMBL10867697

C1CCC(CCCCNCCCCCN2CCN(CCCCCNCCCCC3CCCCC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.53
HRH3 Q9Y5N1 1/20 0.42
RAD52 P43351 1/20 0.41
BCHE P06276 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11841456 0.87 SIGMAR1 (0.50) SIGMAR1HRH3CHRM5
SCHEMBL13978815 0.83 HRH3 (0.62) SIGMAR1HRH3RAD52CHRM5
SCHEMBL9375727 0.83 HRH3 (0.62) SIGMAR1HRH3RAD52CHRM5
SCHEMBL12130736 0.81 HRH3 (0.58) SIGMAR1HRH3CHRM5
SCHEMBL21252640 0.77 HRH3 (0.52) SIGMAR1HRH3
SCHEMBL9213826 0.77 SIGMAR1 (0.63) SIGMAR1ALDH1A1
SCHEMBL22651943 0.77 SIGMAR1 (0.63) SIGMAR1ALDH1A1
SCHEMBL6975316 0.76 SIGMAR1 (0.63) SIGMAR1ALDH1A1
SCHEMBL8092280 0.76 SIGMAR1 (0.62) SIGMAR1
SCHEMBL30115019 0.75 HRH3 (0.54) SIGMAR1HRH3CHRM5

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
US-4613878-A DECOLORIZING AGENT COMPRISING AROMATIC DIAMIDE OR PIPERAZINE DERIVATIVE, HAVING TWO ACYLAMINO GROUPS RICOH COMPANY, LTD. (JP) 1986-09-23 US disclosed