SCHEMBL11364661

SCHEMBL11364661

N#CNC(=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 0.55
▸ TSHR P16473 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC2A1 P11166 1/20 0.42
▸ ALPL P05186 2/20 0.42
▸ ALPG P10696 2/20 0.42
▸ PLAA Q9Y263 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ PKM P14618 1/20 0.40

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 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11364822 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11364669 0.77 BCHE (0.55) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11326194 0.77 BCHE (0.62) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL8492186 0.76 BCHE (0.72) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11449162 0.75 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11360848 0.75 SMN1; SMN2 (0.51) BCHERAB9ASMN1; SMN2PKM
SCHEMBL11346779 0.75 BCHE (0.63) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11364154 0.74 ITGB3 (0.33) —
SCHEMBL21614331 0.73 BCHE (0.64) BCHETRPC3TRPC4TRPC5TSHR

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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