SCHEMBL4377712

SCHEMBL4377712

CCC(C)(C)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1.CCC(CC)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.63
POLB P06746 1/20 0.49
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4377512 0.80 HRH3 (0.76) HRH3POLBDRD2DRD4DRD3
SCHEMBL4377725 0.80 HRH3 (0.97) HRH3POLBDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4378983 0.79 HRH3 (1.00) HRH3POLBDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4381928 0.79 HRH3 (0.78) HRH3POLBDRD2DRD4DRD3
SCHEMBL4378327 0.79 HRH3 (1.00) HRH3
SCHEMBL4379195 0.79 SMN1; SMN2 (0.66) HRH3HTTSMN1; SMN2
SCHEMBL4386127 0.79 HRH3 (1.00) HRH3POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4376343 0.78 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4381864 0.78 HRH3 (1.00) HRH3POLBHTTSMN1; SMN2
SCHEMBL4379229 0.71 HRH3 (0.98) 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