SCHEMBL6580004

SCHEMBL6580004

COc1cccc2c1ccn2CC1CO1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.55
PRMT5 O14744 1/20 0.45
HTR6 P50406 2/20 0.44
DHFR P00374 1/20 0.40
FABP4 P15090 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM2 Q14416 1/20 0.37
ADRA1A P35348 3/20 0.37
GRIN2B Q13224 1/20 0.36
GLA P06280 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL6580104 1.00 HTR2C (0.55) HTR2CPRMT5HTR6DHFRFABP4
SCHEMBL14353267 0.83 DHFR (0.39) HTR2CPRMT5HTR6DHFRGRIN2B
SCHEMBL4326536 0.80 HTR6 (0.46) HTR2CHTR6DHFR
SCHEMBL6583651 0.78 HTR2A (0.50) HTR2CPRMT5HTR6DHFRFABP4
SCHEMBL30098906 0.78 DHFR (0.43) HTR2CHTR6DHFRALDH1A1TSHR
SCHEMBL6581230 0.78 HTR2A (0.50) HTR2CPRMT5HTR6DHFRFABP4
SCHEMBL4334602 0.78 HTR2C (0.50) HTR2CPRMT5HTR6DHFRSMN1; SMN2
SCHEMBL13228252 0.77 HTR2C (0.65) HTR2CPRMT5HTR6FABP4KDM4E
SCHEMBL25010270 0.73 HTR2C (0.60) HTR2CPRMT5HTR6FABP4ALDH1A1
SCHEMBL12543673 0.73 HTR2C (0.60) HTR2CPRMT5HTR6ALDH1A1SMN1; SMN2

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
EP-1075471-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-11-17 EP 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