SCHEMBL8657374

SCHEMBL8657374

Clc1ccc2[nH]cc(Cc3cccnc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.63
SNCA P37840 2/20 0.62
HPGD P15428 1/20 0.56
TDO2 P48775 1/20 0.53
IDO1 P14902 1/20 0.51
TBXAS1 P24557 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
HTR2A P28223 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
PKM P14618 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KMT2A Q03164 1/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
AHR P35869 1/20 0.46

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
SCHEMBL8540445 0.84 GPR84 (0.63) GPR84SNCAIDO1HTR2ATRPM8
SCHEMBL5725721 0.84 GPR84 (0.63) GPR84TDO2HTR2ATRPM8KMT2A
SCHEMBL8658685 0.84 GAA (0.56) SNCAIDO1PCSK9HTR2AKMT2A
SCHEMBL5870915 0.81 MEN1 (0.68) GPR84PKMKMT2AAHR
SCHEMBL8658847 0.81 GPR84 (0.66) GPR84HTR2ATRPM8AHR
SCHEMBL8656583 0.81 SLC6A4 (0.48) SNCA
Hydrochloric Acid SCHEMBL8658852 0.80 GPR84 (0.64) GPR84HTR2ATRPM8AHR
SCHEMBL18383117 0.79 GPR84 (1.00) GPR84IDO1TBXAS1PCSK9HTR2A
SCHEMBL8541224 0.79 CYP19A1 (0.53) SNCAPKMKMT2A
SCHEMBL9938871 0.78 SNCA (1.00) SNCAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834493-A TREATMENT OF NERVOUS SYSTEM DISORDERS GIL QUINTERO MYRNA (IT) 1998-11-10 US disclosed
CN-1124960-A Indole derivatives as 5-HT1A and/or 5-HT2 ligands BOEHRINGER INGELHEIM ITALIA (IT) 1996-06-19 CN disclosed
EP-0694033-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1996-01-31 EP disclosed
WO-1994024125-A1 INDOLE DERIVATIVES AS 5-HT1A AND/OR 5-HT2 LIGANDS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-10-27 WO disclosed