SCHEMBL11366603

SCHEMBL11366603

CNC(=NCCNCc1ncc(C)cn1)NC#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.34
▸ QPCT Q16769 5/20 0.34
▸ HRH2 P25021 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ SLC22A2 O15244 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ATP4A P20648 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ATP4B P51164 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11367598 0.87 HRH4 (0.35) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11663149 0.84 HRH4 (0.34) HRH4QPCTHRH2
SCHEMBL11357086 0.81 QPCT (0.36) HRH4QPCTHRH2
SCHEMBL11357094 0.81 QPCT (0.36) HRH4QPCTHRH2
SCHEMBL11357490 0.80 HRH4 (0.38) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11369819 0.79 HRH4 (0.37) HRH4QPCTHRH2MEN1CYP1A2
SCHEMBL11369824 0.79 HRH4 (0.37) HRH4QPCTHRH2MEN1CYP1A2
SCHEMBL11356761 0.79 BCHE (0.41) HRH4QPCTHRH2MEN1SLC22A2
SCHEMBL11353639 0.79 HRH4 (0.33) HRH4HRH2HRH3MEN1SLC22A2
SCHEMBL11353634 0.79 HRH4 (0.33) HRH4HRH2HRH3MEN1SLC22A2

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 4 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-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
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