SCHEMBL11360976

SCHEMBL11360976

CN(C)CCN=C(NC#N)NCCNCc1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HRH4 Q9H3N8 11/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ HRH2 P25021 5/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ABCC9 O60706 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31

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
SCHEMBL11360967 0.92 BCHE (0.38) BCHEACHEHRH4TBXA2RTBXAS1
SCHEMBL11360963 0.92 BCHE (0.38) BCHEACHEHRH4TBXA2RTBXAS1
SCHEMBL11357773 0.86 MEN1 (0.36) HRH4HRH2P2RX7MEN1ABCC9
SCHEMBL11359347 0.84 BCHE (0.52) BCHEACHEHRH4TBXA2RTBXAS1
SCHEMBL11363966 0.83 HRH4 (0.41) HRH4HRH2P2RX7HRH3MEN1
SCHEMBL11357772 0.83 HRH4 (0.41) BCHEACHEHRH4HRH2P2RX7
SCHEMBL11357766 0.83 HRH4 (0.41) BCHEACHEHRH4HRH2P2RX7
SCHEMBL11371220 0.81 BCHE (0.39) BCHEACHEHRH4TBXA2RTBXAS1
SCHEMBL11369802 0.81 HRH4 (0.40) BCHEACHEHRH4TBXA2RTBXAS1
SCHEMBL11363957 0.80 HRH4 (0.34) HRH4HRH2P2RX7MEN1ABCC9

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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