SCHEMBL10340879

SCHEMBL10340879

CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc(C=Cc2cc[n+](C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.55
CHRM4 P08173 2/20 0.55
CHRM5 P08912 2/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55
KDM4A O75164 4/20 0.55
KDM2A Q9Y2K7 4/20 0.55
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
ALPG P10696 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
INSR P06213 2/20 0.49
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6653604 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3054039 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10340880 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10340951 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10341093 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7619893 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3054036 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10341023 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16183107 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10341094 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348497-A1 NON-LINEAR OPTICAL MATERIAL CONTAINING A HEMICYANINE COMPOUND AND PROCESS FOR PRODUCING IT MERCK PATENT GmbH (DE) 1990-01-03 EP disclosed
WO-1989005843-A1 NON-LINEAR OPTICAL MATERIAL CONTAINING A HEMICYANINE COMPOUND AND PROCESS FOR PRODUCING IT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-06-29 WO disclosed