SCHEMBL6700085

SCHEMBL6700085

c1ccc(-c2[nH]cnc2CCCOCc2ccc3ccccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
REN P00797 11/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYSLTR1 Q9Y271 2/20 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
SCHEMBL6658539 0.87 HRH3 (0.51) HRH4HRH3KDM4ECYP3A4MAPT
SCHEMBL6660593 0.83 HRH4 (0.42) HRH4HRH3REN
SCHEMBL6682337 0.81 HRH4 (0.41) HRH4HRH3REN
SCHEMBL19210354 0.75 TDP1 (0.55) REN
SCHEMBL7988978 0.73 GBA1 (0.41) HRH4HRH3RENCYSLTR1
SCHEMBL6682391 0.73 HRH3 (0.47) HRH4HRH3
SCHEMBL10355251 0.70 CYP3A4 (0.58) KDM4ECYP3A4MAPT
SCHEMBL7624591 0.69 GBA1 (0.47) RENKDM4E
Hydrochloric Acid SCHEMBL10355418 0.69 KDM4E (0.56) KDM4ECYP3A4MAPT
SCHEMBL19210358 0.69 TDP1 (0.48) REN

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-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO disclosed