SCHEMBL9865263

SCHEMBL9865263

COc1ccc(CSCCN=C(N)NCCCc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HRH2 P25021 1/20 0.37
ADORA2A P29274 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.34

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
SCHEMBL9866042 0.90 SCN5A (0.44) LMNAALDH1A1SMN1; SMN2HRH4HRH3
SCHEMBL9868525 0.88 SIGMAR1 (0.44) LMNAALDH1A1MAPTHRH4HRH3
SCHEMBL9876542 0.87 HRH4 (0.39) SMN1; SMN2HRH4HRH3HRH2HTT
SCHEMBL7178167 0.86 HRH4 (0.41) HRH4HRH3HRH2
SCHEMBL9867274 0.85 MC3R (0.37) LMNAALDH1A1SMN1; SMN2HRH4HRH3
SCHEMBL9865256 0.84 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7175060 0.82 HRH2 (0.40) HRH4HRH3HRH2
SCHEMBL9171834 0.82 HRH4 (0.41) HRH4HRH3HRH2
SCHEMBL10371006 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTHRH4HRH3
Impromidine SCHEMBL7171550 0.82 HRH4 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed