SCHEMBL11357492

SCHEMBL11357492

CN=C(NC#N)NCCCNCc1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.51
▸ HRH3 Q9Y5N1 9/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HRH2 P25021 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ATP4A P20648 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ATP4B P51164 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11367601 0.92 HRH4 (0.47) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11360993 0.82 CYP3A4 (0.54) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11363607 0.81 HRH4 (0.53) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11362419 0.81 HRH4 (0.51) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11360810 0.80 HRH4 (0.47) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11353422 0.80 HRH4 (0.49) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11357349 0.80 HRH4 (0.49) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11364410 0.79 HRH4 (0.45) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11366602 0.79 HRH4 (0.51) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11367700 0.79 HRH4 (0.36) HRH4HRH3QPCTCYP3A4CYP2D6

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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