SCHEMBL11694232

SCHEMBL11694232

CCCN(CC)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
TAAR1 Q96RJ0 5/20 0.52
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IGLV6-57 P01721 1/20 0.40
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHR1 P34998 1/20 0.38

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
SCHEMBL7113669 0.88 MAPT (0.62) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL11689257 0.87 MAPT (0.58) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL2468699 0.86 MAPT (0.56) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL11517338 0.82 ALDH1A1 (0.55) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL5551845 0.82 MAPT (0.51) MAPTTAAR1ALDH1A1CYP3A4AOC3
SCHEMBL11691833 0.82 MAPT (0.51) MAPTTAAR1ALDH1A1CYP3A4AOC3
SCHEMBL11133767 0.81 MAPT (0.65) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL10797168 0.80 MAPT (0.50) MAPTTAAR1ALDH1A1CYP3A4HTR3E
SCHEMBL11793328 0.80 MAPT (0.50) MAPTTAAR1ALDH1A1CYP3A4HPGD
SCHEMBL681549 0.79 ALDH1A1 (0.48) MAPTALDH1A1CYP3A4HPGDIGLV6-57

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-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed