SCHEMBL10400338

SCHEMBL10400338

N#CCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HRH2 P25021 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL10401022 0.86 HRH2 (0.53) SMN1; SMN2ALDH1A1HRH2
SCHEMBL10504087 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TDP1ALDH1A1HRH2PRMT6
SCHEMBL9574835 0.85 HRH2 (0.55) SMN1; SMN2ALDH1A1HRH2
SCHEMBL11268821 0.84 HRH2 (0.54) SMN1; SMN2HRH2
SCHEMBL10401250 0.84 HRH2 (0.54) SMN1; SMN2HRH2
SCHEMBL10744580 0.83 HRH2 (0.53) SMN1; SMN2ALDH1A1HRH2
SCHEMBL11263724 0.83 HRH2 (0.53) SMN1; SMN2HRH2
SCHEMBL10667188 0.83 HRH2 (0.53) HRH2
SCHEMBL11271145 0.82 HRH2 (0.52) SMN1; SMN2ALDH1A1HRH2
SCHEMBL11263720 0.82 HRH2 (0.52) SMN1; SMN2HRH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4952589-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-08-28 — — US disclosed
EP-0181163-B1 HETEROCYCLIC PHENOXY DERIVATIVES HAVING AN ANTIHISTAMINE H2 ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 — — EP disclosed
US-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 — — US disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 — — EP disclosed
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