SCHEMBL31617023

SCHEMBL31617023

CCCCCCCCOCCCNCCCc1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
TERT O14746 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
NAMPT P43490 3/20 0.36
TSHR P16473 1/20 0.35
CXCR4 P61073 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL31616998 1.00 TBXAS1 (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31616963 1.00 TBXAS1 (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31616999 0.99 TERT (0.41) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31617070 0.96 TBXAS1 (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31616927 0.96 TBXAS1 (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31617035 0.96 TBXAS1 (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31616981 0.95 TERT (0.40) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31616952 0.94 TERT (0.42) TBXAS1TERTHTR1AHTR1DHTR1B
SCHEMBL31617050 0.92 TERT (0.42) TBXAS1TERTHTR1ACYP1A2CYP3A4
SCHEMBL31617055 0.90 TSHR (0.44) TBXAS1TERTHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed