SCHEMBL8805366

SCHEMBL8805366

NC(=NCCc1ccc(I)cc1)SCCCc1ncc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.63
TP53 P04637 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
MEN1 O00255 1/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 1/20 0.63
HRH3 Q9Y5N1 19/20 0.62
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8621926 0.88 HRH3 (0.60) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8620794 0.85 HRH3 (0.56) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8619886 0.83 HRH4 (0.61) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8625836 0.82 HRH3 (0.63) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8805742 0.81 HRH4 (0.54) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL26687384 0.79 HRH4 (0.69) HRH4TP53CYP1A2CYP3A4MEN1
SCHEMBL8618191 0.78 HRH3 (0.62) HRH4TP53CYP1A2CYP3A4HRH3
SCHEMBL8619999 0.78 HRH4 (0.61) HRH4TP53CYP1A2CYP3A4HRH3
Iodophenpropit SCHEMBL22651297 0.77 HRH4 (1.00) HRH4TP53CYP1A2CYP3A4MEN1
Iodophenpropit SCHEMBL114508 0.77 HRH4 (1.00) HRH4TP53CYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP claimed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP claimed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO claimed
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP disclosed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP disclosed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO disclosed