SCHEMBL9534159

SCHEMBL9534159

NC(=NCc1ccccc1)SCCCc1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 1.00
HRH3 Q9Y5N1 20/20 1.00
TP53 P04637 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79

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
Clobenpropit SCHEMBL49050 0.88 HRH4 (1.00) HRH4HRH3TP53CYP1A2CYP3A4
Iodophenpropit SCHEMBL22651297 0.78 HRH4 (1.00) HRH4HRH3TP53CYP1A2CYP3A4
Iodophenpropit SCHEMBL114508 0.78 HRH4 (1.00) HRH4HRH3TP53CYP1A2CYP3A4
Iodophenpropit SCHEMBL30632137 0.77 HRH4 (1.00) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL8619999 0.76 HRH4 (0.61) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL9533886 0.74 HRH4 (0.58) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL8624871 0.72 HRH4 (0.57) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL2536900 0.72 HRH3 (0.93) HRH4HRH3
SCHEMBL8624154 0.70 HRH4 (0.54) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL224745 0.69 TAAR1 (1.00) HRH4HRH3

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-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP claimed