SCHEMBL8699581

SCHEMBL8699581

CCc1ccc2[nH]cc(CC3CCCN3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.64
HTR1D P28221 4/20 0.60
HTR1B P28222 4/20 0.60
HTR1A P08908 2/20 0.52
SLC6A4 P31645 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51

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
SCHEMBL8699573 1.00 HTR6 (0.64) HTR6HTR1DHTR1BHTR1ASLC6A4
SCHEMBL8506286 0.88 SLC6A4 (0.67) HTR6HTR1DHTR1BHTR1ASLC6A4
SCHEMBL8506646 0.84 HTR6 (0.67) HTR6HTR1DHTR1BHTR1ASLC6A4
SCHEMBL8506642 0.84 HTR6 (0.67) HTR6HTR1DHTR1BHTR1ASLC6A4
SCHEMBL8789712 0.84 HTR6 (0.56) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL8789718 0.84 HTR6 (0.56) HTR6HTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL8886514 0.83 HTR6 (0.55) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL8915205 0.83 HTR6 (0.53) HTR6HTR1DHTR1BHTR1ASLC6A4
SCHEMBL8914713 0.83 HTR6 (0.53) HTR6HTR1BHTR1ASLC6A4HTR2C
SCHEMBL8874433 0.83 HTR6 (0.62) HTR6HTR1DHTR1BHTR1AHTR2C

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
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed
WO-1998027089-A1 5-ALKYL INDOLE COMPOUNDS AS 5-HT1D-LIKE LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-25 WO disclosed