SCHEMBL11357773

SCHEMBL11357773

CCN=C(NC#N)NCCNCc1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ ABCC9 O60706 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ HRH4 Q9H3N8 8/20 0.36
▸ P2RX7 Q99572 4/20 0.35
▸ NAMPT P43490 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ HRH2 P25021 3/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL11363966 0.88 HRH4 (0.41) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11360976 0.86 BCHE (0.38) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11357766 0.85 HRH4 (0.41) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11357772 0.85 HRH4 (0.41) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11363957 0.82 HRH4 (0.34) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11363963 0.82 HRH4 (0.34) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11359959 0.82 BCHE (0.44) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11360967 0.81 BCHE (0.38) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11360963 0.81 BCHE (0.38) MEN1ABCC9CYP1A2CYP3A4CYP2D6
SCHEMBL11364410 0.81 HRH4 (0.45) MEN1ABCC9CYP1A2CYP3A4CYP2D6

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-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-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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