SCHEMBL8882180

SCHEMBL8882180

CN(C)CCNc1nc2cccnc2n2cccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 8/20 0.49
▸ HTR3B O95264 8/20 0.49
▸ HTR3A P46098 8/20 0.49
▸ HTR3D Q70Z44 8/20 0.49
▸ HTR3C Q8WXA8 8/20 0.49
▸ HTR1A P08908 7/20 0.49
▸ HTR2C P28335 6/20 0.49
▸ MAPK8 P45983 2/20 0.46
▸ TOP2A P11388 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.39

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
SCHEMBL8563639 0.83 TOP2A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208500 0.80 KMT2A (0.47) MAPK8TOP2AMKNK1MKNK2KAT2B
SCHEMBL13082238 0.75 RAD51 (0.41) TOP2AGAAALPGTP53
SCHEMBL13056932 0.72 KDM4E (0.48) TOP2AGAA
SCHEMBL21208499 0.71 KDM4E (0.48) MAPK8TOP2AMKNK1MKNK2GAA
SCHEMBL13056890 0.71 CSNK2A1 (0.60) MAPK8TOP2ATP53
SCHEMBL8570625 0.68 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1746874 0.67 CYP2C19 (0.53) TOP2AKAT2BGAAALPGCYP2C19
SCHEMBL8103067 0.67 MAPK8 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208490 0.67 KMT2A (0.48) TOP2ATLR9

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
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 — — US disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 — — EP disclosed
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