SCHEMBL6856816

SCHEMBL6856816

C=C(C)c1ccc2c(c1)N(CC)CCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
ACHE P22303 2/20 0.44
HDAC1 Q13547 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
HTR7 P34969 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL1916280 0.91 ACHE (0.39) HRH3ACHECHRM2MEN1ALDH1A1
SCHEMBL18593246 0.85 ACHE (0.49) HRH3ACHEHDAC1HDAC6CHRM2
SCHEMBL20178669 0.84 ACHE (0.53) HRH3ACHEHDAC1HDAC6CHRM2
SCHEMBL4400467 0.78 CHRM2 (0.61) HRH3ACHECHRM2CHRM4MEN1
SCHEMBL20178706 0.78 SRD5A1 (0.47) HRH3ACHEHDAC1HDAC6CHRM2
SCHEMBL10473419 0.78 HRH3 (0.48) HRH3ACHEHDAC1HDAC6CHRM2
SCHEMBL17833063 0.76 ALDH1A1 (0.55) HRH3ACHEHDAC1HDAC6CHRM2
SCHEMBL17262946 0.76 REN (0.47) HRH3ACHEHDAC1HDAC6ALDH1A1
SCHEMBL5404613 0.76 ACHE (0.46) HRH3ACHECHRM2MEN1ALDH1A1
SCHEMBL6683534 0.75 HRH3 (0.51) HRH3ACHECHRM2CHRM4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed
EP-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064986-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed