SCHEMBL11384492

SCHEMBL11384492

CN=C(NCCSCc1ccccn1)NCCSCc1nc[nH]c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 3/20 0.64
▸ SLC47A1 Q96FL8 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ SLC22A2 O15244 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ GLA P06280 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ ATP4A P20648 1/20 0.64
▸ APEX1 P27695 1/20 0.64
▸ PDE4A P27815 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ ATP4B P51164 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ SLC47A2 Q86VL8 1/20 0.64
▸ SLC22A8 Q8TCC7 1/20 0.64

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
SCHEMBL11384488 1.00 HRH2 (0.64) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11385250 0.88 SLC47A1 (0.80) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11384496 0.87 SLC47A1 (0.51) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11105163 0.87 SLC47A1 (0.57) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL10852820 0.84 SLC47A1 (0.74) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11386006 0.83 SLC47A1 (0.50) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11386010 0.83 SLC47A1 (0.50) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11386012 0.83 SLC47A1 (0.50) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11392002 0.82 SLC47A1 (0.62) HRH2SLC47A1CYP1A2TSHRMEN1
SCHEMBL11391998 0.82 SLC47A1 (0.62) HRH2SLC47A1CYP1A2TSHRMEN1

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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