SCHEMBL11449162

SCHEMBL11449162

CNC(=NC#N)NCCCNc1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

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
▸ TDP1 Q9NUW8 1/20 0.46
▸ 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
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PLAA Q9Y263 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
SCHEMBL11364669 0.84 BCHE (0.55) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11363167 0.84 PKM (0.50) RAB9ASMN1; SMN2PKMLMNA
SCHEMBL11364456 0.82 BCHE (0.54) BCHERAB9ASMN1; SMN2LMNA
SCHEMBL11364822 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11364847 0.82 BCHE (0.56) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11361092 0.80 PKM (0.43) TSHRTP53RAB9ASMN1; SMN2PKM
SCHEMBL11346779 0.80 BCHE (0.63) BCHETRPC3TRPC4TRPC5KCNH2
SCHEMBL11360407 0.79 PKM (0.52) RAB9ASMN1; SMN2PKMLMNA
SCHEMBL11354873 0.78 HTT (0.51) TSHRSMN1; SMN2PKMLMNA
SCHEMBL11363625 0.77 SMN1; SMN2 (0.45) BCHERAB9ASMN1; SMN2PKMLMNA

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-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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