SCHEMBL11040550

SCHEMBL11040550

Cc1[nH]cnc1CCN=C(N)NCCCc1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.48
HRH3 Q9Y5N1 3/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11040543 0.91 HRH4 (0.52) HRH4HRH3HRH2HRH1TDP1
SCHEMBL11040540 0.91 HRH4 (0.52) HRH4HRH3HRH2HRH1TDP1
Impromidine SCHEMBL11039350 0.88 HRH2 (0.59) HRH4HRH3HRH2
Impromidine SCHEMBL3334460 0.88 HRH2 (0.59) HRH4HRH3HRH2
SCHEMBL9865975 0.87 HRH2 (0.61) HRH4HRH3HRH2
Impromidine SCHEMBL11074839 0.87 HRH2 (0.58) HRH4HRH3HRH2
Hydrochloric Acid SCHEMBL9866459 0.86 HRH2 (0.60) HRH4HRH3HRH2
Impromidine SCHEMBL9771045 0.83 HRH2 (0.70) HRH4HRH3HRH2
Impromidine SCHEMBL11726207 0.83 HRH2 (0.69) HRH4HRH3HRH2
SCHEMBL11039962 0.82 SIGMAR1 (0.41) HRH4HRH3HRH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041359-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-11-14 EP disclosed