SCHEMBL8795254

SCHEMBL8795254

COc1ccc2c3c([nH]c2c1)CCCCC(C)C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
NISCH Q9Y2I1 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
PSMD14 O00487 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL4114434 0.83 HTR7 (0.67) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL8311251 0.82 HTR7 (0.65) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL8318327 0.82 HTR7 (0.65) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL9066035 0.82 HTR6 (0.49) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL5016354 0.81 HTR7 (0.67) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL9066402 0.81 HTR6 (0.48) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL21900694 0.79 HTR1B (0.81) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL4904410 0.77 HTR1D (0.55) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL7407989 0.77 HTR1D (0.55) HTR7ADRA2AADRA2BADRA2CNISCH
SCHEMBL10747672 0.76 HTR1D (0.54) HTR7ADRA2AADRA2BADRA2CNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635491-B1 (Thia) cycloalkyl(b)indoles, process of their preparation and compositions containing it ADIR (FR) 1997-05-07 EP claimed
EP-0635491-A1 (Thia) cycloalkyl(b)indoles, process of their preparation and compositions containing it ADIR ET COMPAGNIE (FR) 1995-01-25 EP claimed
EP-0635491-B1 (Thia) cycloalkyl(b)indoles, process of their preparation and compositions containing it ADIR (FR) 1997-05-07 EP disclosed
US-5491163-A POWERFUL ANTIOXIDANT AND PROTECTS HUMAN LIPIDS, SPECIALLY LOW DENSITY LIPOPROTEINS ADIR ET COMPAGNIE (FR) 1996-02-13 US disclosed
EP-0635491-A1 (Thia) cycloalkyl(b)indoles, process of their preparation and compositions containing it ADIR ET COMPAGNIE (FR) 1995-01-25 EP disclosed