SCHEMBL21400548

SCHEMBL21400548

IC1c2ccccc2SCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.31
PRCP P42785 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL21400400 0.81 ALDH1A1 (0.33) HCRTR1SLC6A2SLC6A4SLC6A3PRCP
SCHEMBL20829570 0.73
SCHEMBL21311984 0.71 HTR2A (0.42) PRCP
SCHEMBL21311987 0.70 PRCP (0.45) PRCP
SCHEMBL16155856 0.69 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3NPC1ALPL
SCHEMBL21311754 0.69 PARP1 (0.35) SLC6A2SLC6A4
SCHEMBL22879383 0.68 HTR2B (0.40) HCRTR1SLC6A2SLC6A4
SCHEMBL22879385 0.67 S100A4 (0.38)
SCHEMBL21311751 0.66 PPIA (0.40)
SCHEMBL9296193 0.64 TAAR1 (0.36) NPC1

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
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
EP-3760620-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-06 EP disclosed
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 WO disclosed