SCHEMBL4384353

SCHEMBL4384353

CCC(C)(C)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1.O=C(CCC(=O)N1CCCN(CC2CC2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.72
POLB P06746 1/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL4378095 0.89 HRH3 (0.88) HRH3POLB
Hydrochloric Acid SCHEMBL4382136 0.88 HRH3 (0.91) HRH3POLB
SCHEMBL4377725 0.86 HRH3 (0.97) HRH3POLB
Hydrochloric Acid SCHEMBL4378983 0.85 HRH3 (1.00) HRH3POLB
SCHEMBL4377304 0.85 HRH3 (0.97) HRH3POLBTACR1
Hydrochloric Acid SCHEMBL4382044 0.84 HRH3 (1.00) HRH3POLBTACR1
SCHEMBL4377512 0.75 HRH3 (0.76) HRH3POLB
Hydrochloric Acid SCHEMBL4381928 0.74 HRH3 (0.78) HRH3POLB
SCHEMBL4383722 0.73 HRH3 (0.65) HRH3POLB
SCHEMBL4376061 0.72 HRH3 (0.88) HRH3POLB

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed