SCHEMBL18399297

SCHEMBL18399297

CC(C)(C)OC(=O)N1CC[C@H](c2ccc3cnn(C4CCCCO4)c3c2)[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ALK Q9UM73 2/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL21796618 1.00 PDE4B (0.41) PDE4BJAK2JAK3PTK2GPR119
SCHEMBL28615478 1.00 PDE4B (0.41) PDE4BJAK2JAK3PTK2GPR119
SCHEMBL18399048 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL18399278 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL28615466 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL21796776 0.87 RXRA (0.46) PDE4BRXRARXRBRXRGTP53
SCHEMBL21796615 0.86 GPR119 (0.40) PDE4BJAK2JAK3PTK2GPR119
SCHEMBL22723340 0.86 GPR119 (0.40) PDE4BJAK2JAK3PTK2GPR119
SCHEMBL18399288 0.86 TRPV3 (0.41) JAK2JAK3PTK2GPR119CCNK
SCHEMBL21796877 0.86 TRPV3 (0.41) JAK2JAK3PTK2GPR119CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 — — EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — WO disclosed
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