SCHEMBL11364822

SCHEMBL11364822

C/N=C(/NC#N)NCCCNc1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.56
▸ TRPC3 Q13507 1/20 0.56
▸ TRPC4 Q9UBN4 1/20 0.56
▸ TRPC5 Q9UL62 1/20 0.56
▸ KCNH2 Q12809 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ HRH4 Q9H3N8 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL11364847 1.00 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11363162 0.84 PKM (0.47) HRH4HRH3RAB9ASMN1; SMN2QPCT
SCHEMBL11363159 0.84 PKM (0.47) HRH4HRH3RAB9ASMN1; SMN2QPCT
SCHEMBL11364661 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11449162 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11364449 0.81 NPC1 (0.53) BCHEHRH4RAB9ASMN1; SMN2
SCHEMBL11364451 0.81 NPC1 (0.53) BCHEHRH4RAB9ASMN1; SMN2
SCHEMBL11361088 0.80 HRH4 (0.44) TSHRHRH4HRH3TP53RAB9A
SCHEMBL11361085 0.80 HRH4 (0.44) TSHRHRH4HRH3TP53RAB9A
SCHEMBL11360400 0.79 PKM (0.49) HRH4RAB9ASMN1; SMN2PKM

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-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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