SCHEMBL11368233

SCHEMBL11368233

CCN=C(NC#N)NCCNCc1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ABCC9 O60706 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ KCNJ8 Q15842 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ HRH2 P25021 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
SCHEMBL11369827 0.88 HRH4 (0.47) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11369802 0.85 HRH4 (0.40) HRH4HRH2
SCHEMBL11368225 0.84 HRH4 (0.47) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11368228 0.84 HRH4 (0.47) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11369819 0.81 HRH4 (0.37) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11369824 0.81 HRH4 (0.37) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11367700 0.81 HRH4 (0.36) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11369601 0.81 HRH2 (0.46) HRH4MEN1ABCC9CYP1A2CYP3A4
SCHEMBL11369792 0.81 HRH4 (0.40) HRH4HRH2
SCHEMBL11369799 0.81 HRH4 (0.40) HRH4HRH2

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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