SCHEMBL11357224

SCHEMBL11357224

CCCNC(=NCCNCc1ncccn1)NC#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.39
▸ HRH2 P25021 5/20 0.37
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ABCC9 O60706 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL11367692 0.91 HRH4 (0.45) HRH4HRH2BCHEACHEP2RX7
SCHEMBL11357253 0.90 HRH4 (0.39) HRH4HRH2BCHEACHEP2RX7
SCHEMBL11371217 0.87 BCHE (0.39) HRH4HRH2BCHEACHEP2RX7
SCHEMBL11367598 0.86 HRH4 (0.35) HRH4HRH2P2RX7CYP3A4CYP2D6
SCHEMBL11367700 0.85 HRH4 (0.36) HRH4HRH2P2RX7MEN1ABCC9
SCHEMBL11371220 0.82 BCHE (0.39) HRH4HRH2BCHEACHEP2RX7
SCHEMBL11367601 0.79 HRH4 (0.47) HRH4HRH2P2RX7MEN1CYP1A2
SCHEMBL11357490 0.79 HRH4 (0.38) HRH4HRH2CYP3A4CYP2D6
SCHEMBL11357492 0.77 HRH4 (0.51) HRH4HRH2MEN1CYP1A2CYP3A4
SCHEMBL11400968 0.76 HRH4 (0.59) HRH4HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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