SCHEMBL4694808

SCHEMBL4694808

CC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.68
CHRM4 P08173 2/20 0.44
SLC6A9 P48067 1/20 0.43
CYP3A4 P08684 3/20 0.42
PIK3CD O00329 3/20 0.41
PIK3R1 P27986 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NOTUM Q6P988 4/20 0.41
PIK3CA P42336 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LCAT P04180 2/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL3867511 1.00 HRH3 (0.68) HRH3CHRM4SLC6A9CYP3A4PIK3CD
Hydrochloric Acid SCHEMBL4693269 0.99 HRH3 (0.67) HRH3CHRM4SLC6A9CYP3A4PIK3CD
SCHEMBL4666727 0.96 HRH3 (0.62) HRH3CHRM4SLC6A9CYP3A4PIK3CD
SCHEMBL13683681 0.87 HRH3 (0.52) HRH3CHRM4SLC6A9PIK3CD
Hydrochloric Acid SCHEMBL3861514 0.86 HRH3 (0.52) HRH3CHRM4SLC6A9PIK3CD
SCHEMBL3867307 0.85 HRH3 (0.48) HRH3SLC6A9
SCHEMBL4688718 0.85 HRH3 (0.48) HRH3SLC6A9
SCHEMBL3859666 0.84 HRH3 (0.92) HRH3CHRM4SLC6A9CYP3A4MMP2
SCHEMBL4691427 0.84 HRH3 (0.48) HRH3SLC6A9LCAT
Hydrochloric Acid SCHEMBL3858798 0.84 HRH3 (0.48) HRH3SLC6A9

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-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP claimed