SCHEMBL8293138

SCHEMBL8293138

Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(N)Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
CNR1 P21554 1/20 0.47
SIRT1 Q96EB6 6/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SNCA P37840 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSPO P30536 1/20 0.43
ATM Q13315 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL8300657 0.91 PTPN5 (0.47) CNR1SIRT1SIRT2SNCAMEN1
SCHEMBL27398702 0.81 PLA2G2A (0.48) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL8295618 0.78 HTR1A (0.47) HTR7HTR6CNR1SIRT1SIRT2
SCHEMBL1757962 0.75 KDM4E (0.73) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL8296306 0.73 PRSS1 (0.55) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL1757929 0.72 AKR1C2 (0.54) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL17829970 0.71 HTR6 (0.75) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL7964644 0.70 SLC2A1 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27644764 0.70 MEN1 (0.59) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL1757128 0.70 POLB (0.54) ADRA2AADRA2BADRA2CHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed