SCHEMBL7002780

SCHEMBL7002780

COc1cccc2c1ccn2C(CCCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 5/20 0.43
HTR6 P50406 2/20 0.43
FABP4 P15090 1/20 0.38
PRMT5 O14744 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
NR3C2 P08235 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G4A P47712 1/20 0.35
MTNR1A P48039 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
SCHEMBL6997083 0.87 HTR2C (0.47) HTR2CSLC6A2SLC6A4HTR6FABP4
SCHEMBL2071536 0.85 SLC6A2 (0.63) HTR2CSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2074697 0.81 SLC6A2 (0.44) SLC6A2SLC6A4NR3C2ATMSLC6A3
SCHEMBL2074699 0.81 SLC6A2 (0.44) SLC6A2SLC6A4NR3C2ATMSLC6A3
SCHEMBL2074273 0.76 SLC6A4 (0.53) HTR2CSLC6A2SLC6A4NR3C2SLC6A3
SCHEMBL2073887 0.75 SLC6A4 (0.67) SLC6A2SLC6A4
SCHEMBL3223128 0.74 FGFR1 (0.35) SLC6A2SLC6A4OPRM1OPRK1SLC6A3
SCHEMBL3223123 0.74 FGFR1 (0.35) SLC6A2SLC6A4OPRM1OPRK1SLC6A3
SCHEMBL3218067 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3225487 0.72 SLC6A2 (0.43) SLC6A2SLC6A4MEN1KMT2A

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-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
EP-1140943-A2 SUBSTITUTED PYRROLOINDOLES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000037472-A2 SUBSTITUTED PIRROLOINDOLES ELI LILLY AND COMPANY (US) 2000-06-29 WO disclosed