SCHEMBL4184767

SCHEMBL4184767

Fc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 1.00
ALDH1A1 P00352 1/20 0.74
TSHR P16473 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74

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
SCHEMBL4018816 0.98 HRH3 (1.00) HRH3
SCHEMBL4188339 0.92 HRH3 (0.85) HRH3ALDH1A1TSHRNPSR1
SCHEMBL4020966 0.91 HRH3 (1.00) HRH3
SCHEMBL4176012 0.90 HRH3 (0.85) HRH3ALDH1A1TSHRNPSR1
SCHEMBL4020046 0.90 HRH3 (1.00) HRH3
SCHEMBL4018779 0.89 HRH3 (0.85) HRH3
SCHEMBL4193787 0.89 HRH3 (1.00) HRH3
SCHEMBL4024299 0.89 HRH3 (1.00) HRH3
SCHEMBL4021657 0.88 HRH3 (0.82) HRH3
SCHEMBL4023105 0.88 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO claimed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed