SCHEMBL9867261

SCHEMBL9867261

CC(CSCc1ccccn1)N=C(N)NCCCc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
DAO P14920 1/20 0.32
CYP2C19 P33261 2/20 0.32
CXCR2 P25025 1/20 0.32
CX3CR1 P49238 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 0.32
NPY1R P25929 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9866299 0.89 HRH4 (0.37) ALDH1A1CYP2C19KMT2AHRH4POLB
SCHEMBL9864984 0.83 RAB9A (0.42) HRH2ALDH1A1CYP1A2TSHRL3MBTL1
SCHEMBL7180743 0.82 HRH2 (0.37) HRH2HRH4
SCHEMBL9866179 0.81 HRH2 (0.44) HRH2CYP1A2TSHRL3MBTL1LMNA
SCHEMBL9867255 0.81 ALDH1A1 (0.37) ALDH1A1CYP1A2TSHRL3MBTL1LMNA
Hydrochloric Acid SCHEMBL9865309 0.80 HRH2 (0.44) HRH2CYP1A2TSHRL3MBTL1LMNA
SCHEMBL9866877 0.77 HRH3 (0.35) L3MBTL1LMNAHRH4CYP2D6
SCHEMBL7287614 0.77 HRH2 (0.47) HRH2NPY1RHRH4
SCHEMBL7287548 0.77 HRH2 (0.47) HRH2NPY1RHRH4
SCHEMBL7180733 0.75 LMNA (0.37) ALDH1A1CYP1A2TSHRLMNADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP claimed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP claimed
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