SCHEMBL11357090

SCHEMBL11357090

CN=C(NC#N)NCCNCc1ncc(C)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.51
▸ HRH3 Q9Y5N1 9/20 0.44
▸ QPCT Q16769 3/20 0.44
▸ 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
▸ 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
▸ SMN1; SMN2 Q16637 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
SCHEMBL11359917 0.87 HRH4 (0.47) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11371349 0.82 CYP3A4 (0.58) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11371352 0.82 CYP3A4 (0.58) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11366602 0.81 HRH4 (0.51) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11357086 0.80 QPCT (0.36) HRH4QPCTHRH2
SCHEMBL11357094 0.80 QPCT (0.36) HRH4QPCTHRH2
SCHEMBL11367601 0.78 HRH4 (0.47) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11356318 0.78 HRH4 (0.47) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11450598 0.77 HRH4 (0.50) HRH4HRH3QPCTCYP3A4CYP2D6
SCHEMBL11357342 0.77 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 7 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-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — 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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