SCHEMBL4741235

SCHEMBL4741235

FC(F)(F)Oc1ccccc1C1CNCCN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ GRIN2B Q13224 2/20 0.43
▸ OPRM1 P35372 1/20 0.38
▸ SLC6A2 P23975 5/20 0.36
▸ SLC6A4 P31645 5/20 0.36
▸ CYP2D6 P10635 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33

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
SCHEMBL6609212 0.81 SLC6A4 (0.39) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL31444592 0.80 TACR1 (0.46) HTR2CHTR2BHTR2AGRIN2BOPRM1
SCHEMBL22040130 0.80 TACR1 (0.46) HTR2CHTR2BHTR2AGRIN2BOPRM1
SCHEMBL25355557 0.80 HTR2C (0.54) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL1638122 0.80 HTR2C (0.54) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL28776903 0.80 HTR2C (0.54) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL28205555 0.79 KMT2A (0.40) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5566775 0.76 HTR2C (0.54) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL25355022 0.76 HTR2A (0.48) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL25238033 0.76 HTR2A (0.48) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 — — EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 — — EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 — — WO disclosed
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