SCHEMBL6997083

SCHEMBL6997083

COc1cccc2c1ccn2C(CCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 4/20 0.43
HTR6 P50406 2/20 0.43
FABP4 P15090 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PRMT5 O14744 1/20 0.39
TNF P01375 1/20 0.39
NR3C2 P08235 1/20 0.38
OPRK1 P41145 3/20 0.37
OPRM1 P35372 2/20 0.37
PLA2G4A P47712 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR7 P34969 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7002780 0.87 HTR2C (0.44) HTR2CSLC6A2SLC6A4HTR6FABP4
SCHEMBL2071536 0.85 SLC6A2 (0.63) HTR2CSLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL4085383 0.81 SLC6A4 (0.46) HTR2CSLC6A2SLC6A4HTR6FABP4
SCHEMBL4077007 0.81 SLC6A4 (0.46) HTR2CSLC6A2SLC6A4HTR6FABP4
SCHEMBL3214832 0.80 TNF (0.38) HTR2CSLC6A2SLC6A4TNFOPRK1
SCHEMBL2074273 0.76 SLC6A4 (0.53) HTR2CSLC6A2SLC6A4NR3C2CYP2D6
SCHEMBL4081220 0.76 SLC6A2 (0.65) SLC6A2SLC6A4
SCHEMBL4080529 0.76 SLC6A2 (0.65) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081719 0.75 SLC6A2 (0.65) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4081054 0.75 SLC6A2 (0.65) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140943-B1 SUBSTITUTED PYRROLOINDOLES LILLY CO ELI (US) 2003-08-13 EP disclosed
US-6448284-B1 PYRROLO(1,2-A)INDOLES; INHIBITING NONPANCREATIC SECRETORY PHOSPHOLIPASE A2 MEDIATED RELEASE OF FATTY ACIDS; SEPTIC SHOCK ELI LILLY AND COMPANY 2002-09-10 US disclosed