SCHEMBL78477

SCHEMBL78477

COCCCc1c[nH]c2ccc(C(C)C)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.66
HTR1B P28222 6/20 0.63
SLC6A4 P31645 4/20 0.47
HTR1A P08908 5/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
HTR4 Q13639 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2B P41595 1/20 0.43
MPO P05164 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
SCHEMBL91364 0.81 HTR2A (0.63) HTR1DHTR1BSLC6A4HTR1AHTR2A
SCHEMBL22643951 0.81 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AMPO
SCHEMBL13962815 0.80 SLC6A4 (0.66) HTR1DHTR1BSLC6A4HTR1AHTR2A
SCHEMBL13962824 0.80 SLC6A4 (0.66) HTR1DHTR1BSLC6A4HTR1AHTR2A
SCHEMBL2540516 0.80 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL7755853 0.80 HTR1D (0.73) HTR1DHTR1BSLC6A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7816441 0.78 HTR1D (0.97) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL25903380 0.77 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL22643883 0.76 HTR1D (0.68) HTR1DHTR1BSLC6A4HTR1AHTR2A
SCHEMBL8243669 0.76 SLC6A4 (0.62) HTR1DHTR1BSLC6A4HTR1AHTR2A

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed