SCHEMBL13636238

SCHEMBL13636238

C=C(CCC(=O)c1ccc(Cl)cc1)N1CCN(C(CCC)CCC)CC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.78
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4379229 0.89 HRH3 (0.98) HRH3
Hydrochloric Acid SCHEMBL4378570 0.88 HRH3 (1.00) HRH3
SCHEMBL4378327 0.79 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4376343 0.78 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4376182 0.76 HRH3 (0.80) HRH3
SCHEMBL4379382 0.73 HRH3 (0.97) HRH3
Hydrochloric Acid SCHEMBL4380930 0.72 HRH3 (1.00) HRH3
SCHEMBL4377286 0.69 HRH3 (0.88) HRH3
SCHEMBL318783 0.68 HSD17B3 (0.67) LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL4376199 0.68 HRH3 (0.90) 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 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 disclosed