SCHEMBL11367598

SCHEMBL11367598

CNC(=NCCNCc1ncccn1)NC#N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.35
▸ P2RX7 Q99572 4/20 0.33
▸ QPCT Q16769 3/20 0.33
▸ HRH2 P25021 1/20 0.32
▸ NAMPT P43490 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL11357490 0.92 HRH4 (0.38) HRH4QPCTHRH2NAMPTCYP3A4
SCHEMBL11353418 0.88 HRH4 (0.36) HRH4P2RX7QPCTHRH2NAMPT
SCHEMBL11366603 0.87 HRH4 (0.34) HRH4QPCTHRH2CYP3A4CYP2D6
SCHEMBL11367692 0.87 HRH4 (0.45) HRH4P2RX7HRH2CYP3A4CYP2D6
SCHEMBL11357224 0.86 HRH4 (0.39) HRH4P2RX7HRH2CYP3A4CYP2D6
SCHEMBL11367836 0.85 CYP3A4 (0.31) HRH4QPCTNAMPTCYP3A4CYP2D6
SCHEMBL11371217 0.83 BCHE (0.39) HRH4P2RX7HRH2CYP2C19
SCHEMBL11353639 0.81 HRH4 (0.33) HRH4HRH2NAMPTCYP3A4CYP2D6
SCHEMBL11369819 0.81 HRH4 (0.37) HRH4QPCTHRH2NAMPTCYP3A4
SCHEMBL11369824 0.81 HRH4 (0.37) HRH4QPCTHRH2NAMPTCYP3A4

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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