SCHEMBL8620792

SCHEMBL8620792

N=C(S)NCCc1ccc(CCCCc2cnc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.58
HRH2 P25021 2/20 0.57
HRH3 Q9Y5N1 4/20 0.56

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
SCHEMBL8624867 0.89 HRH3 (0.56) HRH4HRH2HRH3
SCHEMBL14914554 0.75 ST14 (0.47)
SCHEMBL11398008 0.73 TAAR1 (0.50) HRH4HRH3
SCHEMBL8964986 0.72 HRH3 (0.79) HRH4HRH2HRH3
SCHEMBL8963957 0.70 HRH3 (0.80) HRH4HRH2HRH3
SCHEMBL2536900 0.70 HRH3 (0.93) HRH4HRH2HRH3
SCHEMBL11036080 0.69 HRH4 (0.86) HRH4HRH2HRH3
SCHEMBL8963886 0.68 HRH3 (0.75) HRH4HRH2HRH3
SCHEMBL7765126 0.68 MEN1 (0.74) HRH4HRH2
SCHEMBL7567011 0.67 QPCT (0.71) 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
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed