SCHEMBL4340481

SCHEMBL4340481

COc1ccc(OC(C(=O)N(C)C2CCN(C)CC2)C(Oc2cccc(Cl)c2Cl)C(=O)N(C)C2CCN(C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
HTR2A P28223 7/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GHSR Q92847 2/20 0.40
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAB9A P51151 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR6 P50406 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
SCHEMBL4340461 0.79 POLB (0.57) HTR2AALDH1A1GAAHTR2CL3MBTL1
SCHEMBL3049283 0.73 POLB (0.65) ALDH1A1GAAL3MBTL1GHSRCCR5
SCHEMBL12004767 0.69 GHSR (0.46) HTR2AGHSRCCR5
SCHEMBL15088420 0.69 MCHR1 (0.67) HTR2AALDH1A1GAAHTR2CL3MBTL1
SCHEMBL3038901 0.67 RAB9A (0.60) HTTHTR2AALDH1A1GAAHTR2C
SCHEMBL3050521 0.66 POLB (0.71) ALDH1A1GAACCR5POLBSIGMAR1
SCHEMBL19309199 0.66 GHSR (0.70) HTTGHSR
SCHEMBL12005988 0.66 GHSR (0.70) HTTGHSR
SCHEMBL12004450 0.66 GHSR (0.55) HTTHTR2AHTR2CGHSRCCR5
SCHEMBL30804735 0.66 MCHR1 (0.53) ALDH1A1GAAL3MBTL1POLBMCHR1

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-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed