SCHEMBL28567964

SCHEMBL28567964

Cc1cc2c(cc1N1CCNCC1)OC[C](N)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ADRB1 P08588 4/20 0.39
HTR7 P34969 2/20 0.35
NCF1 P14598 1/20 0.35
HTR1A P08908 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL19046440 0.69 IRAK4 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2366486 0.69 ADRB1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11296687 0.66 HTR3A (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL470221 0.66 ADRB1 (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6128525 0.65 MAPT (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17884970 0.65 ADRB1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30609616 0.65 ADRB1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30609659 0.65 ADRB1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17884851 0.65 ADRB1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25886109 0.63 FLT3 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C

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
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed