SCHEMBL7475666

SCHEMBL7475666

CC(COc1nccnc1N1CCNCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
HTR6 P50406 5/20 0.41
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6046294 0.83 HTR6 (0.43) HTR2CHTR6SLC6A4HTR1ASLC6A2
SCHEMBL6046283 0.78 SLC6A2 (0.42) HTR2CHTR6SLC6A4HTR1ASLC6A2
SCHEMBL4316454 0.78 HTR6 (0.46) HTR2CHTR6SLC6A4HTR1ASLC6A2
SCHEMBL4308039 0.76 TSHR (0.48) HTR2CHTR6SLC6A4TSHRHTR1A
SCHEMBL4324612 0.75 HTR2C (0.48) HTR2CHTR6SLC6A4TSHRHTR1A
SCHEMBL4326876 0.75 HTR2C (0.48) HTR2CHTR6SLC6A4TSHRHTR1A
SCHEMBL13116676 0.75 HRH4 (0.44) HTR2CEPHX2
SCHEMBL4314317 0.75 NISCH (0.44) HTR2CSLC6A4HTR1ASLC6A2
SCHEMBL4314576 0.74 HTR6 (0.48) HTR2CHTR6SLC6A4ACHEHTR1A
SCHEMBL13116675 0.74 HTR2C (0.42) HTR2CEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed