SCHEMBL11566972

SCHEMBL11566972

FC(F)Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
IDO1 P14902 3/20 0.46
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
AGXT P21549 2/20 0.41
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29092065 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL20187556 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL28771419 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL29091897 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL29498029 0.77 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL11563760 0.76 TRPA1 (0.50) IDO1TAAR1LMNAAGXT
SCHEMBL8322312 0.76 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL24848154 0.75 IDO1 (0.48) SLC6A2SLC6A3IDO1LMNAHTR2A
SCHEMBL10331596 0.74 IDO1 (0.46) IDO1TAAR1CYP2A6PPARGPPARA
SCHEMBL5570367 0.74 TAAR1 (0.54) SLC6A2TAAR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4173706-A REACTING WITH MOLYBDENUM HEXAFLUORIDE INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) 1979-11-06 US disclosed