SCHEMBL10670904

SCHEMBL10670904

CC(CN)COc1cccc(CN2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.53
▸ WDR77 Q9BQA1 1/20 0.53
▸ PRMT6 Q96LA8 1/20 0.51
▸ HRH2 P25021 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ FAAH O00519 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10504734 0.87 PRMT5 (0.55) PRMT5WDR77PRMT6HRH2ACE2
SCHEMBL9866734 0.85 PRMT5 (0.64) PRMT5WDR77PRMT6ACE2KDM4E
SCHEMBL10868232 0.81 FAAH (0.48) PRMT5WDR77HRH2FAAHHRH3
SCHEMBL10668685 0.80 FAAH (0.52) HRH2FAAHHRH3
SCHEMBL10811863 0.80 PRMT5 (0.62) PRMT5WDR77PRMT6ACE2KDM4E
SCHEMBL5167259 0.80 HRH2 (0.59) PRMT6HRH2FAAHHRH3KDM4E
SCHEMBL13293711 0.79 ALDH1A1 (0.61) FAAHKDM4EALDH1A1SMN1; SMN2
SCHEMBL6140348 0.79 PRMT5 (0.60) PRMT5WDR77ACE2ALDH1A1SMN1; SMN2
SCHEMBL5288663 0.79 HRH2 (0.61) PRMT6HRH2HRH3
SCHEMBL10527698 0.79 HRH2 (0.61) PRMT6HRH2HRH3

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-4727081-A ANTIULCER AGENTS LUDWIG HEUMANN & CO. GMBH (DE) 1988-02-23 — — US disclosed
EP-0180754-A2 3,4-Diazole derivatives, process for their preparation and medicines containing these compounds LUDWIG HEUMANN & CO GMBH (DE) 1986-05-14 — — EP disclosed
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