SCHEMBL4863289

SCHEMBL4863289

COc1ccc(C(F)(F)F)cc1N1CCN(CCOc2cc([N+](=O)[O-])cc3c2OC(C)(C)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 5/20 0.40
HTR1B P28222 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
DRD2 P14416 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37

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 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTR1AHTR1BADRA1D
SCHEMBL4751067 0.85 HTR7 (0.47) ALDH1A1SMN1; SMN2HTR1ALMNAMEN1
SCHEMBL4754299 0.83 ADRA1A (0.41) ALDH1A1SMN1; SMN2HTR1AHTR1BADRA1D
SCHEMBL4789257 0.72 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTR1ALMNAMEN1
SCHEMBL4754290 0.71 HTR1A (0.50) ALDH1A1SMN1; SMN2HTR1ALMNAHTR2A
SCHEMBL4753368 0.70 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2FFAR4LMNAMEN1
SCHEMBL4751070 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2FFAR4LMNAMEN1
SCHEMBL4751068 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2FFAR4LMNAMEN1
SCHEMBL4750825 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2FFAR4LMNAMEN1
SCHEMBL4751039 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2FFAR4LMNAMEN1

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