SCHEMBL8624867

SCHEMBL8624867

N=C(S)NCc1ccc(CCCCc2cnc[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
HRH4 Q9H3N8 6/20 0.54
HRH2 P25021 3/20 0.54

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
SCHEMBL8620792 0.89 HRH4 (0.58) HRH3HRH4HRH2
SCHEMBL11398008 0.79 TAAR1 (0.50) HRH3HRH4
Clobenpropit SCHEMBL19733457 0.74 HRH4 (0.65) HRH3HRH4HRH2
SCHEMBL8964986 0.72 HRH3 (0.79) HRH3HRH4HRH2
SCHEMBL8963957 0.70 HRH3 (0.80) HRH3HRH4HRH2
SCHEMBL2536900 0.70 HRH3 (0.93) HRH3HRH4HRH2
SCHEMBL8963886 0.68 HRH3 (0.75) HRH3HRH4HRH2
SCHEMBL4687435 0.67 HRH3 (0.66) HRH3HRH4HRH2
SCHEMBL11036080 0.66 HRH4 (0.86) HRH3HRH4HRH2
Hydrochloric Acid SCHEMBL10951495 0.66 HTT (0.49)

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
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed