SCHEMBL9879437

SCHEMBL9879437

NN(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
G6PC1 P35575 1/20 0.42
AOC3 Q16853 2/20 0.42
PKM P14618 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
CXCR3 P49682 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39

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
Hydrochloric Acid SCHEMBL9518503 0.98 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3G6PC1AOC3
SCHEMBL28980138 0.92 AOC3 (0.47) SLC6A2SLC6A4SLC6A3G6PC1AOC3
SCHEMBL9737481 0.90 AOC3 (0.45) SLC6A2SLC6A4SLC6A3AOC3CNR2
Hydrochloric Acid SCHEMBL9458170 0.88 CYP1A2 (0.50) SLC6A2SLC6A4SLC6A3AOC3CNR2
Hydrochloric Acid SCHEMBL9518394 0.88 AOC3 (0.44) SLC6A2SLC6A4SLC6A3AOC3CNR2
SCHEMBL544819 0.85 AOC3 (0.56) AOC3CNR2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4825334 0.83 AOC3 (0.54) AOC3MEN1KMT2ATSHR
SCHEMBL9737153 0.81 GBA1 (0.41) AOC3LMNATAAR1CYP19A1MEN1
SCHEMBL934572 0.81 BCL2A1 (0.51) AOC3CNR2CNR1POLBTAAR1
SCHEMBL9735994 0.81 CNR2 (0.48) AOC3CNR2CNR1LMNAPOLB

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-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed