SCHEMBL11545709

SCHEMBL11545709

Clc1cccc(Oc2ccc(N3CCNCC3)nc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
HTR2A P28223 4/20 0.49
HTR2B P41595 4/20 0.49
HTR3A P46098 5/20 0.49
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
HTR6 P50406 3/20 0.49
ADRB1 P08588 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL11545028 0.86 LTA4H (0.63) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL11547851 0.85 LTA4H (0.62) HTR2CHTR3AHTR1AHTR7HTR3E
SCHEMBL6791132 0.79 HTR3A (0.55) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL194226 0.75 HTR3A (0.57) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL2224435 0.74 ADRB1 (0.57) HTR2BHTR3AHTR1AHTR7HTR3E
SCHEMBL11547735 0.74 HTR1A (0.52) HTR2CHTR2AHTR1AHTR6SLC6A4
Hydrochloric Acid SCHEMBL21521416 0.74 HTR3A (0.55) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL11543800 0.74 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19SCN9A
SCHEMBL21553814 0.73 NTRK1 (0.38) HTR2CHTR2AHTR2BHTR3AHTR1A
SCHEMBL547169 0.73 HTR1A (0.71) HTR2CHTR2AHTR2BHTR3AHTR1A

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