SCHEMBL29794859

SCHEMBL29794859

c1ccc2c(c1)OCCC21COCc2nc3ccc(-c4cnc(N5CCCNCC5)nc4)nc3n21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ROCK2 O75116 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVR1B P36896 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
TNF P01375 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
SCHEMBL18151452 1.00 PDE10A (0.33) PDE10AMAPTCHRNB2CHRNA4ROCK2
SCHEMBL29795054 0.97 PDE10A (0.34) PDE10AMAPTBMPR1AACVR1BACVRL1
SCHEMBL18151303 0.97 PDE10A (0.34) PDE10AMAPTBMPR1AACVR1BACVRL1
SCHEMBL18151140 0.90 PIK3CA (0.34) PDE10AMAPTTNF
SCHEMBL29794880 0.90 MAPT (0.35) PDE10AMAPTBMPR1AACVR1BACVRL1
SCHEMBL18150906 0.90 MAPT (0.35) PDE10AMAPTBMPR1AACVR1BACVRL1
SCHEMBL29794921 0.88 PDE10A (0.34) PDE10AMAPTTNF
SCHEMBL18151613 0.88 PDE10A (0.34) PDE10AMAPTTNF
SCHEMBL18151337 0.86 TNF (0.35) TNF
SCHEMBL29794897 0.86 TNF (0.35) TNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
WO-2024182772-A2 MANNOSE 6-PHOSPHATE RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP disclosed