SCHEMBL11367700

SCHEMBL11367700

CCN=C(NC#N)NCCNCc1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.36
▸ P2RX7 Q99572 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HRH2 P25021 2/20 0.34
▸ QPCT Q16769 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATP4A P20648 1/20 0.33
▸ APEX1 P27695 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
SCHEMBL11357253 0.90 HRH4 (0.39) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11367601 0.86 HRH4 (0.47) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11357224 0.85 HRH4 (0.39) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11371220 0.84 BCHE (0.39) HRH4P2RX7MEN1KMT2AHRH2
SCHEMBL11367692 0.83 HRH4 (0.45) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11368233 0.81 HRH4 (0.39) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11367802 0.80 HRH4 (0.33) HRH4MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11367598 0.80 HRH4 (0.35) HRH4P2RX7CYP3A4CYP2D6HRH2
SCHEMBL11361196 0.80 HRH2 (0.48) HRH4P2RX7MEN1CYP1A2CYP3A4
SCHEMBL11357773 0.79 MEN1 (0.36) HRH4P2RX7MEN1CYP1A2CYP3A4

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 9 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-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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