SCHEMBL6581230

SCHEMBL6581230

Fc1cccc2c1ccn2CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
P2RX7 Q99572 1/20 0.44
GRIN2B Q13224 2/20 0.43
DHFR P00374 1/20 0.43
PRMT5 O14744 1/20 0.41
HTR1A P08908 3/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.35
FABP4 P15090 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL6583651 1.00 HTR2A (0.50) HTR2AHTR2CP2RX7GRIN2BDHFR
SCHEMBL4334602 0.81 HTR2C (0.50) HTR2AHTR2CP2RX7GRIN2BDHFR
SCHEMBL30098906 0.81 DHFR (0.43) HTR2AHTR2CP2RX7GRIN2BDHFR
SCHEMBL6580104 0.78 HTR2C (0.55) HTR2AHTR2CGRIN2BDHFRPRMT5
SCHEMBL6580004 0.78 HTR2C (0.55) HTR2AHTR2CGRIN2BDHFRPRMT5
SCHEMBL30119624 0.73 CDK4 (0.55) HTR2AHTR2CDHFRHTR6LMNA
SCHEMBL15380532 0.73 DHFR (0.51) GRIN2BDHFRMAPTMEN1LMNA
SCHEMBL408456 0.73 CDK4 (0.55) HTR2AHTR2CDHFRHTR6LMNA
SCHEMBL10311225 0.73 HTR2C (0.63) HTR2AHTR2CP2RX7PRMT5SLC6A4
SCHEMBL14353267 0.73 DHFR (0.39) HTR2CGRIN2BDHFRPRMT5HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075471-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-11-17 EP disclosed
CN-1144800-C Indolyl derivatives as 5-hydroxytryptamine drugs 2004-04-07 CN disclosed
CN-1307574-A Indolyl derivatives as 5-hydroxytryptamine drugs AMERICAN HOME PROD (US) 2001-08-08 CN disclosed
US-6204274-B1 TREAT CENTRAL NERVOUS SYSTEM DISORDERS, SUCH AS DEPRESSION AND ANXIETY AND OTHER CONDITIONS FOR WHICH SEROTONIN REUPTAKE INHIBITORS ARE USED. AMERICAN HOME PRODUCTS CORPORATION 2001-03-20 US disclosed
EP-1075471-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-14 EP disclosed
WO-1999055694-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed