SCHEMBL25487567

SCHEMBL25487567

CCCC(NC)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
ADRB2 P07550 1/20 0.39
FFAR2 O15552 2/20 0.38
UTS2R Q9UKP6 8/20 0.37
S1PR1 P21453 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL6278630 0.83 ATP1A1 (0.42) SLC6A4SLC6A3SLC6A2ADRB2FFAR2
SCHEMBL135747 0.82 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ADRB2FFAR2
SCHEMBL24528911 0.80 KMT2A (0.39) SLC6A4SLC6A3SLC6A2TAAR1
SCHEMBL436301 0.79 UTS2R (0.40) SLC6A4SLC6A3SLC6A2ADRB2FFAR2
SCHEMBL5320420 0.79 UTS2R (0.42) SLC6A4SLC6A3SLC6A2FFAR2UTS2R
SCHEMBL28338266 0.79 GAA (0.45) SLC6A4SLC6A3SLC6A2ADRB2FFAR2
SCHEMBL172552 0.79 ALDH1A1 (0.49) SLC6A4SLC6A3SLC6A2TSHRTAAR1
SCHEMBL13075028 0.79 ALDH1A1 (0.49) SLC6A4SLC6A3SLC6A2TSHRTAAR1
SCHEMBL172587 0.79 ALDH1A1 (0.49) SLC6A4SLC6A3SLC6A2TSHRTAAR1
SCHEMBL6032980 0.78 ADRB2 (0.40) SLC6A4SLC6A3SLC6A2ADRB2FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed