SCHEMBL6187201

SCHEMBL6187201

COc1cc2c(cc1N)CCNCC2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.65
HTR2C P28335 12/20 0.65
HTR2B P41595 12/20 0.65
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43
MAOA P21397 2/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL21850578 0.91 HTR2A (0.54) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL24620372 0.91 HTR2A (0.54) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL29557860 0.88 HTR2C (0.51) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL3162737 0.87 HTR2A (0.74) HTR2AHTR2CHTR2BADCY6ADCY3
Hydrochloric Acid SCHEMBL4247274 0.85 HTR2A (0.71) HTR2AHTR2CHTR2BADCY6ADCY3
SCHEMBL7527046 0.83 ALDH1A1 (0.48) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL20231622 0.83 L3MBTL1 (0.48) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL21468497 0.82 ALDH1A1 (0.47) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL6122379 0.82 POLB (0.47) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL719964 0.80 ADCY6 (0.56) HTR2AHTR2CHTR2BL3MBTL1GAA

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-1549639-A1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004031181-A1 SULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-04-15 WO disclosed