SCHEMBL6775704

SCHEMBL6775704

CCCn1ccc2ccc(C[C@@H]3CCCN3C)cc21.CN1CCC[C@H]1Cc1ccc2cc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
HTR7 P34969 3/20 0.40
NOS3 P29474 6/20 0.39
NOS1 P29475 6/20 0.39
NOS2 P35228 3/20 0.38

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
SCHEMBL6743248 0.90 HTR6 (0.51) HTR6HTR1DHTR1BHTR7NOS3
SCHEMBL6745791 0.90 HTR6 (0.51) HTR6HTR1DHTR1BHTR7NOS3
SCHEMBL6740739 0.86 HTR1B (0.51) HTR6HTR1DHTR1BHTR7
SCHEMBL6744614 0.82 HTR6 (0.47) HTR6HTR1DHTR1BHTR7NOS3
SCHEMBL6744609 0.82 HTR6 (0.47) HTR6HTR1DHTR1BHTR7NOS3
SCHEMBL6742324 0.72 HTR6 (0.45) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL6948541 0.71 HTR6 (0.44) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL6948549 0.71 HTR6 (0.44) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL6745125 0.70 HTR6 (0.43) HTR6HTR1DHTR1BNOS3NOS1
SCHEMBL28319002 0.69 HTR1B (0.46) HTR6HTR1DHTR1B

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-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed