SCHEMBL7953435

SCHEMBL7953435

COC(=O)Cc1c(C2CC2)[nH]c2ccc(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.62
MTNR1B P49286 8/20 0.62
AKR1C2 P52895 1/20 0.52
NQO2 P16083 2/20 0.49
SIRT1 Q96EB6 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPKAPK2 P49137 7/20 0.48
MAPKAPK5 Q8IW41 3/20 0.47
MAPKAPK3 Q16644 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL30604527 0.81 AKR1C2 (0.78) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL6825151 0.81 AKR1C2 (0.78) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL7962079 0.80 NQO2 (0.66) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL6703468 0.79 KDM4E (0.69) AKR1C2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7964163 0.79 HTR6 (0.60) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL8815898 0.79 MTNR1A (0.54) MTNR1AMTNR1BSIRT1TSHRMAPKAPK2
SCHEMBL8946996 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL7952945 0.77 HTR6 (0.62) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL8978316 0.75 AKR1C2 (0.72) MTNR1AMTNR1BAKR1C2NQO2CYP1A2
SCHEMBL31324183 0.74 KDM4E (0.60) MTNR1AMTNR1BAKR1C2NQO2TSHR

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