SCHEMBL9697763

SCHEMBL9697763

OCc1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
HTR1D P28221 5/20 0.49
HTR1B P28222 5/20 0.49
HTR2C P28335 2/20 0.48
MPO P05164 8/20 0.47
SLC6A4 P31645 5/20 0.45
CYP2D6 P10635 2/20 0.43
HTR2A P28223 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
DRD1 P21728 1/20 0.43
HTR1E P28566 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL16675461 0.83 HTR2C (0.68) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL8807628 0.82 HTR2C (0.67) HTR1AHTR1DHTR1BHTR2CSLC6A4
SCHEMBL28486981 0.82 MPO (0.51) HTR1AHTR1DHTR1BMPOSLC6A4
SCHEMBL10681114 0.80 HTR1A (0.72) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL8808469 0.80 SLC6A4 (0.67) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL8544422 0.79 HPGD (0.58) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL4637101 0.79 MPO (0.73) HTR1AMPOSLC6A4HTR2ATRPM8
SCHEMBL9257648 0.77 HTR7 (0.68) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL12352649 0.77 KDM4E (0.69) HTR1AHTR1DHTR1BHTR2CMPO
SCHEMBL16791392 0.77 HPGD (0.68) HTR1AHTR1DHTR1BHTR2CMPO

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
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed