SCHEMBL24806584

SCHEMBL24806584

CC(C)(I)N1C(=O)c2ccccc2/C=C\c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ HTR6 P50406 4/20 0.48
▸ HTR2A P28223 3/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ HRH1 P35367 2/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ P2RX4 Q99571 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CES1 P23141 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ BCHE P06276 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL18637841 0.87 HTR1A (0.50) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL14288790 0.74 DRD2 (0.58) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL23254941 0.74 HTR1A (0.50) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL24820836 0.73 CES1 (0.35) CES1BCHEALDH1A1TTRTGM2
SCHEMBL12142434 0.70 P2RX4 (0.47) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL26224662 0.70 HTR1A (0.54) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL21439922 0.70 HTR1A (0.50) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL25877102 0.70 HTR1A (0.66) HTR1ADRD2HTR6HTR2ASLC6A4
SCHEMBL4368833 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL2156119 0.68 CASP3 (0.46) MEN1MAPTKMT2ACES1ALDH1A1

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
US-20220409773-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-29 — — US disclosed
WO-2022270549-A1 NOVEL POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-12-29 — — WO disclosed
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