SCHEMBL11384496

SCHEMBL11384496

CNC(=NCCSCc1nc[nH]c1C)NCCSCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC47A1 Q96FL8 2/20 0.51
▸ HRH2 P25021 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ATP4A P20648 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ATP4B P51164 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLC47A2 Q86VL8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51

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
SCHEMBL11385257 0.89 HRH2 (0.61) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11384492 0.87 HRH2 (0.64) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11384488 0.87 HRH2 (0.64) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11386010 0.86 SLC47A1 (0.50) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11386006 0.86 SLC47A1 (0.50) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11386012 0.86 SLC47A1 (0.50) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11392007 0.84 HRH2 (0.50) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11145620 0.83 HRH2 (0.55) SLC47A1HRH2MEN1SLC22A2LMNA
SCHEMBL11105163 0.83 SLC47A1 (0.57) SLC47A1HRH2MEN1SLC22A2LMNA
Hydrochloric Acid SCHEMBL11381228 0.80 L3MBTL1 (0.57) SLC47A1HRH2MEN1SLC22A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282234-A HISTAMINE BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-04 — — US disclosed
US-4191769-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-04 — — US disclosed
US-4170652-A USED TO BLOCK HISTAMINE H2 RECEPTORS ANTISECRETORY, ANTIINFLAMMATORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-09 — — US disclosed
US-4118496-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-03 — — US disclosed
US-4109003-A N-(IMIDAZOLYL-METHYLTHIO-ALKYL) DERIVATIVES OF S-ALKYL ISOTHIOUREAS; ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-22 — — US disclosed
US-4107319-A GUANIDINES, BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-15 — — US disclosed
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