SCHEMBL11368209

SCHEMBL11368209

CN=C(NC#N)NCCCNc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.53
▸ HRH3 Q9Y5N1 9/20 0.53
▸ QPCT Q16769 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HRH2 P25021 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ ATP4A P20648 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ATP4B P51164 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11368204 1.00 HRH4 (0.53) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11364154 0.81 ITGB3 (0.33) HRH4HRH3
SCHEMBL11363607 0.79 HRH4 (0.53) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11368212 0.79 HRH4 (0.38) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11351788 0.78 HRH4 (0.51) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11351785 0.78 HRH4 (0.51) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11364847 0.76 BCHE (0.56) HRH4HRH3QPCTTSHRSMN1; SMN2
SCHEMBL11364822 0.76 BCHE (0.56) HRH4HRH3QPCTTSHRSMN1; SMN2
SCHEMBL11356061 0.76 HRH4 (0.53) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11363881 0.75 HRH4 (0.49) 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 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-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-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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