SCHEMBL11547735

SCHEMBL11547735

Fc1ccccc1Oc1ccc(N2CCNCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
SLC6A2 P23975 7/20 0.52
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 4/20 0.52
PLD1 Q13393 1/20 0.47
SCN9A Q15858 1/20 0.44
PRMT5 O14744 1/20 0.43
LTA4H P09960 1/20 0.41
NTRK1 P04629 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR6 P50406 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
Hydrochloric Acid SCHEMBL11544005 0.99 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3PLD1
SCHEMBL16654410 0.84 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL16651907 0.83 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL11547851 0.82 LTA4H (0.62) HTR1ASLC6A2SLC6A4SLC6A3PLD1
SCHEMBL11545028 0.75 LTA4H (0.63) HTR1APLD1SCN9ALTA4HHTR6
SCHEMBL1594249 0.75 PLD1 (0.53) HTR1ASLC6A4PLD1HRH3HTR6
SCHEMBL2224435 0.74 ADRB1 (0.57) HTR1APLD1HRH3HTR6
SCHEMBL11545709 0.74 HTR2C (0.51) HTR1ASLC6A4SCN9ALTA4HHTR6
Hydrochloric Acid SCHEMBL26633229 0.74 PLD1 (0.51) HTR1ASLC6A4PLD1HRH3HTR6
Hydrochloric Acid SCHEMBL20140251 0.74 PLD1 (0.51) HTR1ASLC6A4PLD1HRH3HTR6

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
US-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed