SCHEMBL22153185

SCHEMBL22153185

COC1CN(c2ccc(Cl)c(C)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA2D2 Q9NY47 1/20 0.39
▸ MAP4K4 O95819 2/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35

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
SCHEMBL22153186 0.80 PDE10A (0.35) PDE10APDCD1CD274ACACBPRKAB2
SCHEMBL15260161 0.74 PDE10A (0.44) PDE10ACCNCCDK8MAP4K4
SCHEMBL12525723 0.73 KMT2A (0.61) KMT2A
SCHEMBL22153203 0.72 PDE10A (0.46) PDE10ACCNCCDK8PDE4BKMT2A
SCHEMBL13155045 0.70 PDE10A (0.47) PDE10ACCNCCDK8
SCHEMBL25226170 0.69 PDE10A (0.42) PDE10ACCNCCDK8MAP4K4ACACB
SCHEMBL20073609 0.69 GRIN2B (0.45) PDE10ACCNCCDK8MAP4K4ACACB
SCHEMBL31015153 0.69 KDM4E (0.50) PDE10ACCNCCDK8PDCD1CD274
SCHEMBL29883765 0.69 GRIN2B (0.45) PDE10ACCNCCDK8MAP4K4ACACB
SCHEMBL17624443 0.69 CCNC (0.41) PDE10ACCNCCDK8MAP4K4CYP3A4

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-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 — — WO disclosed
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