SCHEMBL23716007

SCHEMBL23716007

C/C=C(Br)\C=C(/N)Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
TAAR1 Q96RJ0 4/20 0.41
MAPK8 P45983 1/20 0.39
MAOB P27338 3/20 0.37
PARP10 Q53GL7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
SLC1A1 P43005 2/20 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
SCHEMBL4320859 0.78 HCAR2 (0.49) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL4320854 0.78 HCAR2 (0.49) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL23715951 0.77 GRM2 (0.34) IDO1TAAR1
SCHEMBL21394861 0.74 TAAR1 (0.46) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL23716262 0.74 IDO1 (0.43) IDO1TAAR1
SCHEMBL27791783 0.73 TAAR1 (0.52) IDO1AGXTTAAR1MAPK8MAOB
Hydrochloric Acid SCHEMBL214750 0.72 HTR3E (0.59) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL19597972 0.70 HCAR2 (0.44) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL29846287 0.70 TAAR1 (0.52) IDO1AGXTTAAR1MAPK8MAOB
SCHEMBL1623365 0.70 HTR3E (0.61) IDO1AGXTTAAR1MAPK8MAOB

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed