SCHEMBL30351393

SCHEMBL30351393

O=C1c2c(F)cc(N3CC4CC3CN4)cc2CN1C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ CHRNB2 P17787 9/20 0.38
▸ CHRNA4 P43681 9/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34

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
SCHEMBL30351630 0.93 PARP1 (0.46) PARP1CHRNB2CHRNA4
SCHEMBL30352100 0.84 PARP1 (0.45) PARP1CHRNB2CHRNA4IRAK4
SCHEMBL30352272 0.84 PARP1 (0.44) PARP1CHRNB4CHRNA3
SCHEMBL30351699 0.82 PARP1 (0.47) PARP1
SCHEMBL30351668 0.82 PARP1 (0.41) PARP1CHRNB2CHRNA4IRAK4
SCHEMBL30352021 0.82 PARP1 (0.44) PARP1
SCHEMBL30352004 0.81 PARP1 (0.40) PARP1CHRNB2CHRNA4IRAK4
SCHEMBL30351817 0.81 PARP1 (0.47) PARP1
SCHEMBL26132496 0.80 CHRNB2 (0.36) PARP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30352207 0.79 PARP1 (0.40) PARP1CHRNB2CHRNA4IRAK4

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-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO claimed
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