SCHEMBL21763293

SCHEMBL21763293

O=CN1CCC(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.55
CCR3 P51677 2/20 0.53
CARM1 Q86X55 2/20 0.50
PRMT6 Q96LA8 2/20 0.50
PRMT3 O60678 1/20 0.49
PRMT1 Q99873 1/20 0.49
PRMT8 Q9NR22 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
GRIN2B Q13224 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL133620 0.89 CCR3 (0.61) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL28540968 0.85 CCR3 (0.46) TACR3CCR3CARM1PRMT6PRMT3
SCHEMBL18786497 0.83 CCR3 (0.53) TACR3CCR3CARM1PRMT6PRMT3
SCHEMBL29138824 0.82 SLC6A2 (0.48) CCR3
SCHEMBL31307968 0.82 SLC6A2 (0.48) CCR3
SCHEMBL29138831 0.82 SLC6A2 (0.48) CCR3
SCHEMBL18970534 0.78 ATM (0.47) TACR3ALDH1A1
SCHEMBL22470627 0.78 CCR3 (0.45) CCR3
SCHEMBL6970404 0.78 CCR3 (0.45) CCR3
SCHEMBL3436965 0.77 PRMT6 (0.62) TACR3CCR3CARM1PRMT6PRMT3

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
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP disclosed
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed