SCHEMBL26896015

SCHEMBL26896015

Oc1cc(C#Cc2ccccc2)c2c(c1)CCN(c1ccc(C3CCNCC3)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HTR6 P50406 4/20 0.36
DRD3 P35462 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 2/20 0.35
NAMPT P43490 1/20 0.35
CETP P11597 1/20 0.35
P2RY14 Q15391 1/20 0.33
PARP1 P09874 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
QDPR P09417 1/20 0.33
ESRRB O95718 2/20 0.32
ESRRG P62508 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAP4K3 Q8IVH8 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
SCHEMBL24629247 0.80 KDM4E (0.38)
SCHEMBL24629246 0.79 MAOB (0.43)
SCHEMBL24628556 0.74 MEN1 (0.41) ESR1ESR2
SCHEMBL24628702 0.70 GRM5 (0.39) DRD3ESR2
SCHEMBL12273056 0.69 SLC18A3 (0.68) SLC18A3SIGMAR1ESR1NAMPTP2RY14
SCHEMBL24628686 0.69 DRD2 (0.39) DRD3
SCHEMBL24628690 0.67 SLC18A3 (0.33) PRMT5WDR77SLC18A3SIGMAR1NAMPT
SCHEMBL26895796 0.64 ESR2 (0.56) PRMT5WDR77SIGMAR1ESR2NAMPT
SCHEMBL26854537 0.62 GRM5 (0.46) NAMPT
SCHEMBL12279471 0.62 HTR3A (0.56) DRD3SLC18A3SIGMAR1

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
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed