SCHEMBL25422934

SCHEMBL25422934

O=CC(=O)C1CCC(N2Cc3cc(CN4CC5CC4CN5)ccc3C2=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ CHRM3 P20309 1/20 0.36
▸ MAOA P21397 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ CRBN Q96SW2 4/20 0.32
▸ GSPT1 P15170 2/20 0.32
▸ DDB1 Q16531 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ IKZF3 Q9UKT9 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ MTR Q99707 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ GAS6 Q14393 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL25422609 0.94 MAOA (0.34) P2RX7MAOAHTR2AHTR2CHTR2B
SCHEMBL25422666 0.88 MAOA (0.35) MAOAHTR2AHTR2CHTR2BCRBN
SCHEMBL25422826 0.86 HTR2A (0.38) MAOAHTR2AHTR2CHTR2BCRBN
SCHEMBL25422761 0.86 MAOA (0.35) MAOAHTR2AHTR2CHTR2BCRBN
SCHEMBL25421860 0.84 HTR2C (0.39) MAOAHTR2AHTR2CHTR2BCRBN
SCHEMBL25281394 0.83 MAOA (0.38) MAOAHTR2AHTR2CHTR2BCRBN
Hydrochloric Acid SCHEMBL29099257 0.82 MAOA (0.41) MAOAHTR2AHTR2CHTR2BCRBN
SCHEMBL25421672 0.81 CRBN (0.36) P2RX7CHRM3HTR2AHTR2CHTR2B
SCHEMBL30458967 0.81 PARP1 (0.42) P2RX7CHRM3HTR2AHTR2CHTR2B
SCHEMBL25421720 0.80 HTR2A (0.39) MAOAHTR2AHTR2CHTR2BCRBN

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO claimed
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