SCHEMBL6204624

SCHEMBL6204624

[CH2]c1ccc(N2CCC(CN3CCCC3)CC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
NOTUM Q6P988 6/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
CHRM4 P08173 1/20 0.37
AR P10275 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
DPP4 P27487 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4935654 0.82 FAAH (0.47) NPSR1GAAOPRM1OPRK1OPRL1
SCHEMBL4938511 0.81 ALDH1A1 (0.40) NPSR1GAANOTUMOPRM1OPRK1
SCHEMBL14282078 0.77 FAAH (0.43) NOTUML3MBTL3
SCHEMBL4938440 0.74 FAAH (0.41) NPSR1GAACHRM5
Trifluoromethanesulfonic Acid SCHEMBL4939925 0.72 FAAH (0.43) NOTUM
SCHEMBL4933545 0.70 ALDH1A1 (0.46) GAAOPRM1OPRK1OPRL1OPRD1
SCHEMBL24233918 0.70 MBTD1 (0.56) GAACHRM5ADRA2CL3MBTL3L3MBTL1
SCHEMBL4937515 0.69 ALDH1A1 (0.46) GAANOTUMOPRM1OPRK1OPRL1
SCHEMBL12073571 0.69 CHRM5 (0.48) CHRM5ADRA2CL3MBTL3L3MBTL1
SCHEMBL4931385 0.69 L3MBTL3 (0.68) L3MBTL3L3MBTL1

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
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP disclosed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed