SCHEMBL27422669

SCHEMBL27422669

C#CCn1ccn(-c2cccnc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ EP300 Q09472 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ADORA2B P29275 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL27524823 0.83 ADORA2B (0.36) EP300KAT2BADORA2BDRD2
SCHEMBL27342675 0.70 MAPT (0.48) MAPTCYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL27281889 0.70 SMN1; SMN2 (0.44) CYP3A4HTTMAPTCYP11B2ALDH1A1
SCHEMBL27333035 0.69 CYP19A1 (0.47) CYP2A6CYP3A4HTTCYP2E1EP300
SCHEMBL27338916 0.69 CYP2A6 (0.44) CYP2A6CYP3A4HTTCYP2E1ELANE
SCHEMBL27523033 0.69 CYP3A4 (0.44) CYP2A6CYP3A4HTTCYP2E1ELANE
SCHEMBL27333031 0.69 HTT (0.44) CYP2A6CYP3A4HTTCYP2E1ELANE
SCHEMBL7835814 0.69 DRD2 (0.61) HTTCYP11B2DRD2DRD3
SCHEMBL27341439 0.68 ALDH1A1 (0.50) CYP2A6CYP3A4CYP2E1CYP11B2ALDH1A1
SCHEMBL27336690 0.68 CYP2A6 (0.42) CYP2A6CYP3A4HTTCYP2E1ELANE

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
CN-1043990-C Imidazolidinone derivative, acid-addition salt therefor, and remedy for senile dementia KYORIN SEIYAKU KK (JP) 1999-07-07 — — CN disclosed
CN-1135215-A Imidazolidinone derivative, acid-addition salt therefor, and remedy for senile dementia KYORIN SEIYAKU KK (JP) 1996-11-06 — — CN disclosed
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