SCHEMBL25795136

SCHEMBL25795136

Cc1cc(C2CCCOC2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.37
ADCY1 Q08828 1/20 0.37
NOTUM Q6P988 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
OPRK1 P41145 1/20 0.33
CCR2 P41597 1/20 0.33
PTPN5 P54829 1/20 0.32
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL25795137 0.91 NOTUM (0.37) ADCY8ADCY1NOTUMPTPN5
SCHEMBL28752822 0.84 PRKAB2 (0.34) OPRK1MYCWDR5
SCHEMBL10104276 0.82 ADCY8 (0.42) ADCY8ADCY1NOTUMPTPN5
SCHEMBL16729426 0.79 NOTUM (0.46) ADCY8ADCY1NOTUMPTPN5
SCHEMBL25795139 0.75 HTR1A (0.39) NOTUM
SCHEMBL10553055 0.74 SMN1; SMN2 (0.40)
SCHEMBL18781907 0.74 ADCY8 (0.37) ADCY8ADCY1NOTUMPTPN5
SCHEMBL18051411 0.73 HTR2C (0.50) PTPN5
SCHEMBL7786250 0.73 HTR1A (0.38) ADCY8ADCY1NOTUM
SCHEMBL15787250 0.72 NOTUM (0.41) ADCY8ADCY1NOTUMPTPN5

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-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO disclosed