SCHEMBL21247047

SCHEMBL21247047

O=C1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)CN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
GRM2 Q14416 1/20 0.52
MMP13 P45452 2/20 0.50
S1PR5 Q9H228 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APP P05067 1/20 0.45
MAOB P27338 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL7252823 0.86 GSK3A (0.57) HRH3MEN1KMT2AGSK3AGSK3B
SCHEMBL16085665 0.83 GSK3A (0.54) HRH3MEN1KMT2AGSK3AGSK3B
SCHEMBL3177594 0.79 GRM2 (0.60) HRH3GRM2MMP13S1PR5NPC1
SCHEMBL31667271 0.78 GRM2 (0.53) HRH3GRM2MMP13S1PR5NPC1
SCHEMBL8659857 0.78 HRH3 (0.53) HRH3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28922005 0.78 HRH3 (0.57) HRH3GRM2TP53MEN1ALDH1A1
SCHEMBL2023251 0.73 MEN1 (0.55) HRH3GRM2MMP13S1PR5NPC1
SCHEMBL6160536 0.73 GRM2 (0.59) HRH3GRM2MMP13S1PR5NPC1
SCHEMBL3490697 0.73 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5193417 0.72 GSK3A (0.51) MEN1ALDH1A1KMT2AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749739-A1 DETERGENT COMPOSITION HAVING A FLOW LIMIT Henkel AG & Co. KGaA (DE) 2020-12-16 EP claimed
WO-2019233789-A1 DETERGENT COMPOSITION WITH A YIELD POINT HENKEL AG & CO. KGAA (DE) 2019-12-12 WO claimed
WO-2019154613-A1 DETERGENT COMPOSITION HAVING A FLOW LIMIT HENKEL AG & CO. KGAA (DE) 2019-08-15 WO claimed
EP-4004173-A1 MOULDED BODIES CONTAINING ACTIVE SUBSTANCES AND METHOD FOR THE PRODUCTION THEREOF Henkel AG & Co. KGaA (DE) 2022-06-01 EP disclosed
EP-4004171-A1 MULTIPHASE MOLDED BODY AND METHOD FOR PRODUCING SAME Henkel AG & Co. KGaA (DE) 2022-06-01 EP disclosed
EP-4004170-A1 SHAPED PRODUCTS THAT CONTAIN AN ACTIVE SUBSTANCE AND PRODUCTION METHOD THEREOF Henkel AG & Co. KGaA (DE) 2022-06-01 EP disclosed
EP-3894171-A2 APPARATUS AND PROCESS FOR PRODUCTION OF A WATER-SOLUBLE SHELL, AND SAID WATER-SOLUBLE SHELL Henkel AG & Co. KGaA (DE) 2021-10-20 EP disclosed
EP-3894172-A1 PROCESS AND APPARATUS FOR PRODUCTION OF A WATER-SOLUBLE SHELL AND WASHING OR CLEANING COMPOSITION PORTIONS CONTAINING SAID WATER-SOLUBLE SHELL Henkel AG & Co. KGaA (DE) 2021-10-20 EP disclosed
WO-2021013409-A1 MULTIPHASE MOLDED BODY AND METHOD FOR PRODUCING SAME HENKEL AG & CO. KGAA (DE) 2021-01-28 WO disclosed
WO-2021013394-A1 SHAPED PRODUCTS THAT CONTAIN AN ACTIVE SUBSTANCE AND PRODUCTION METHOD THEREOF HENKEL AG & CO. KGAA (DE) 2021-01-28 WO disclosed
WO-2021013412-A1 MOULDED BODIES CONTAINING ACTIVE SUBSTANCES AND METHOD FOR THE PRODUCTION THEREOF HENKEL AG & CO. KGAA (DE) 2021-01-28 WO disclosed
EP-3749739-A1 DETERGENT COMPOSITION HAVING A FLOW LIMIT Henkel AG & Co. KGaA (DE) 2020-12-16 EP disclosed
WO-2020120208-A2 APPARATUS AND PROCESS FOR PRODUCTION OF A WATER-SOLUBLE SHELL, AND WASHING OR CLEANING AGENT PORTION PACKS COMPRISING SAID WATER-SOLUBLE SHELL AND CONTAINING A VISCOELASTIC, SOLID FILLING SUBSTANCE HENKEL AG & CO. KGAA (DE) 2020-06-18 WO disclosed
WO-2020120209-A1 PROCESS AND APPARATUS FOR PRODUCTION OF A WATER-SOLUBLE SHELL AND WASHING OR CLEANING COMPOSITION PORTIONS CONTAINING SAID WATER-SOLUBLE SHELL HENKEL AG & CO. KGAA (DE) 2020-06-18 WO disclosed
WO-2019233789-A1 DETERGENT COMPOSITION WITH A YIELD POINT HENKEL AG & CO. KGAA (DE) 2019-12-12 WO disclosed
WO-2019154613-A1 DETERGENT COMPOSITION HAVING A FLOW LIMIT HENKEL AG & CO. KGAA (DE) 2019-08-15 WO disclosed