SCHEMBL7962397

SCHEMBL7962397

COc1ccc2c(ccn2CN(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.59
HTR2A P28223 1/20 0.57
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A2 P23975 1/20 0.45
HTR6 P50406 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRMT5 O14744 3/20 0.44
ROCK1 Q13464 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL1196543 0.86 HTR2C (0.46) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL1196854 0.86 HTR2C (0.44) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL3332582 0.84 HTR2C (0.81) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL8127772 0.81 HTR2C (0.68) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL7232114 0.81 HTR2C (0.64) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL9623262 0.79 HTR2C (0.62) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL23927896 0.78 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL23927895 0.78 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL23956071 0.78 HTR2C (0.69) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL24109924 0.78 HTR2C (0.54) HTR2CHTR2AMTNR1AMTNR1BKDM4E

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-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed