SCHEMBL4754299

SCHEMBL4754299

COc1ccc(C(F)(F)F)cc1N1CCN(CCCOc2cc(N)cc3c2OC(C)(C)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.41
HTR2A P28223 4/20 0.41
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
DRD2 P14416 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
HTR1B P28222 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR6 P50406 2/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 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
SCHEMBL4752802 0.96 ALDH1A1 (0.41) ADRA1AHTR2AHTR1AHTR7DRD2
SCHEMBL4863289 0.83 ALDH1A1 (0.41) ADRA1AHTR2AHTR1ADRD2ALDH1A1
SCHEMBL4754290 0.80 HTR1A (0.50) HTR2AHTR1AHTR7DRD2ALDH1A1
SCHEMBL4788339 0.74 KCNH2 (0.50) HTR2AABCB1
SCHEMBL4908879 0.73 HTR7 (0.50) HTR2AHTR1AHTR7DRD2ABCB1
SCHEMBL12969072 0.70 HTR6 (0.58) ADRA1AHTR2AHTR1AHTR7DRD2
SCHEMBL28496894 0.69 KMT2A (0.39) HTR2AALDH1A1
SCHEMBL4754289 0.69 FFAR4 (0.39) HTR2AALDH1A1FFAR4
SCHEMBL28978441 0.68 DHFR (0.40) HTR2AHTR1AALDH1A1
SCHEMBL4753309 0.67 NPC1 (0.37) HTR2AHTR1AALDH1A1FFAR4

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed