SCHEMBL11545649

SCHEMBL11545649

Clc1ccccc1Oc1cccnc1N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.68
SLC6A2 P23975 3/20 0.68
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
EPHX2 P34913 1/20 0.49
ADRB1 P08588 1/20 0.47
HTR2C P28335 3/20 0.47
PLD1 Q13393 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL11544826 0.83 EPHX2 (0.52) HTR1ASLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL11544723 0.83 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL31651836 0.83 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL11545602 0.82 LTA4H (0.55) HTR1ASLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL234597 0.82 EPHX2 (0.59) HTR1ASLC6A2EPHX2ADRB1HTR2C
Hydrochloric Acid SCHEMBL11549809 0.82 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3EPHX2
Hydrochloric Acid SCHEMBL1737119 0.81 EPHX2 (0.58) HTR1ASLC6A2EPHX2ADRB1HTR2C
SCHEMBL1026306 0.78 CYP2C19 (0.57) HTR1ASLC6A2EPHX2ADRB1
Hydrochloric Acid SCHEMBL1969103 0.77 LMNA (0.58) HTR1ASLC6A2EPHX2ADRB1
Hydrochloric Acid SCHEMBL30069211 0.77 LMNA (0.58) HTR1ASLC6A2EPHX2ADRB1

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