SCHEMBL9866024

SCHEMBL9866024

NC(=NCCCc1c[nH]cn1)NCCSc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
TEAD1 P28347 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
HRH4 Q9H3N8 5/20 0.38
HRH2 P25021 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH1 P35367 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9866281 0.95 SIGMAR1 (0.41) SIGMAR1TEAD1YAP1TEAD4TEAD2
SCHEMBL9867202 0.82 HRH4 (0.37) SIGMAR1HRH4HRH2HRH3
SCHEMBL9867504 0.82 HRH4 (0.40) SIGMAR1HRH4HRH2HRH3HRH1
SCHEMBL9877143 0.81 HPGD (0.37) SIGMAR1HRH4HRH2HRH3POLB
SCHEMBL9865151 0.81 EBP (0.41) SIGMAR1HRH4HRH2HRH3HRH1
SCHEMBL9866021 0.81 TEAD1 (0.43) TEAD1YAP1TEAD4TEAD2POLB
SCHEMBL9868525 0.80 SIGMAR1 (0.44) SIGMAR1HRH4HRH2HRH3POLB
SCHEMBL9866047 0.80 HRH4 (0.43) TEAD1YAP1TEAD4TEAD2HRH4
SCHEMBL9865202 0.80 HRH4 (0.43) TEAD1YAP1TEAD4TEAD2HRH4
SCHEMBL11039972 0.79 GRIN2D (0.41) SIGMAR1HRH4HRH2HRH3

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