SCHEMBL30616169

SCHEMBL30616169

c1ccc(CC2CCCN(CC3CCCCC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.62
▸ PRMT6 Q96LA8 2/20 0.62
▸ BCHE P06276 1/20 0.53
▸ SIGMAR1 Q99720 4/20 0.52
▸ CCR3 P51677 3/20 0.49
▸ CHRM5 P08912 1/20 0.47
▸ ADRA2C P18825 1/20 0.47

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
SCHEMBL10681990 0.95 CARM1 (0.63) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL30616166 0.94 SIGMAR1 (0.57) CARM1PRMT6SIGMAR1CCR3
SCHEMBL30616175 0.89 CARM1 (0.51) CARM1PRMT6SIGMAR1CCR3
SCHEMBL10684393 0.84 BCHE (0.70) CARM1PRMT6BCHECCR3
SCHEMBL8238364 0.84 BCHE (0.70) CARM1PRMT6BCHECCR3
SCHEMBL30616164 0.84 SIGMAR1 (0.69) CARM1PRMT6SIGMAR1CCR3
SCHEMBL9912161 0.83 PRMT6 (0.68) CARM1PRMT6BCHECCR3
SCHEMBL12658795 0.83 BCHE (0.64) CARM1PRMT6BCHECCR3
SCHEMBL7248339 0.81 CARM1 (0.70) CARM1PRMT6BCHESIGMAR1CCR3
SCHEMBL24076365 0.80 CARM1 (0.68) CARM1PRMT6BCHESIGMAR1CCR3

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
CN-116940571-A Benzisoxazole derivative and use thereof 诺华股份有限公司 2023-10-24 — — CN disclosed
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