SCHEMBL9749879

SCHEMBL9749879

O=[N+]([O-])CCc1cc(Br)cc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
AHR P35869 3/20 0.34
CNR1 P21554 1/20 0.34
EGFR P00533 1/20 0.34
IDO1 P14902 4/20 0.34
TDO2 P48775 4/20 0.34
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31
NR4A2 P43354 1/20 0.31
CHEK1 O14757 2/20 0.31

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
SCHEMBL2539769 0.79 CHRNB2 (0.57) HTR6PKMPKLRCHRNB2CHRNA7
SCHEMBL16806647 0.77 DAO (0.43) ALDH1A1MAPTPKMPKLRAHR
SCHEMBL9750437 0.76 HTR2A (0.49) HTR6CHRNB2CHRNA7CHRNA4AHR
SCHEMBL29507030 0.73 HTR6 (0.43) HTR6ALDH1A1MAPTAHRIDO1
SCHEMBL15910939 0.73 HTR6 (0.43) HTR6ALDH1A1MAPTAHRIDO1
SCHEMBL27973185 0.71 ALDH1A1 (0.42) HTR6ALDH1A1MAPTAHRMEN1
SCHEMBL763949 0.71 HTR2A (0.61) HTR6PKMPKLRCHRNB2CHRNA7
SCHEMBL27910148 0.69 HTR6 (0.36) HTR6CHRNB2CHRNA7CHRNA4AHR
SCHEMBL10683860 0.68 MAPT (0.39) HTR6ALDH1A1MAPTAHREGFR
SCHEMBL10683865 0.68 MAPT (0.39) HTR6ALDH1A1MAPTAHREGFR

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-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP claimed
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
EP-0266349-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES. SCHERING AG (DE) 1988-05-11 EP disclosed
WO-1987000522-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1987-01-29 WO disclosed