SCHEMBL31142009

SCHEMBL31142009

OB(O)Oc1ccc(N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 9/20 0.61
▸ HTR3E A5X5Y0 4/20 0.61
▸ HTR3B O95264 4/20 0.61
▸ HTR3A P46098 4/20 0.61
▸ HTR3D Q70Z44 4/20 0.61
▸ HTR3C Q8WXA8 4/20 0.61
▸ SIGMAR1 Q99720 4/20 0.61
▸ LTA4H P09960 4/20 0.57
▸ ADRB2 P07550 1/20 0.47
▸ NCF1 P14598 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTR5A P47898 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45

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
SCHEMBL31142010 1.00 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7684964 0.83 HDAC6 (0.46) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL5209026 0.81 KCNH2 (0.47) ALDH1A1USP2TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL30753410 0.81 ALDH1A1 (0.47) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL3016819 0.80 ALDH1A1 (0.47) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL5210514 0.79 GAA (0.52) HTR3AALDH1A1TSHRHSD17B10KDM4E
SCHEMBL5570604 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30646320 0.76 PLD1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2410870 0.76 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13682565 0.76 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118599220-B Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2025-02-07 — — CN claimed
CN-118599220-A Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2024-09-06 — — CN claimed
CN-118599220-B Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2025-02-07 — — CN disclosed
CN-118599220-A Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2024-09-06 — — CN disclosed
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