SCHEMBL18399288

SCHEMBL18399288

CC(C)(C)OC(=O)N1CC[C@H](c2cc3c(cnn3C3CCCCO3)cc2F)[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.41
▸ GPR119 Q8TDV5 5/20 0.40
▸ ALK Q9UM73 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 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
SCHEMBL28608598 1.00 TRPV3 (0.41) TRPV3GPR119ALKRXRARXRB
SCHEMBL21796877 1.00 TRPV3 (0.41) TRPV3GPR119ALKRXRARXRB
SCHEMBL18399199 0.92 GPR119 (0.40) TRPV3GPR119RXRARXRBRXRG
SCHEMBL21796615 0.92 GPR119 (0.40) GPR119ALKRXRARXRBRXRG
SCHEMBL28610193 0.92 GPR119 (0.40) TRPV3GPR119RXRARXRBRXRG
SCHEMBL22723340 0.92 GPR119 (0.40) GPR119ALKRXRARXRBRXRG
SCHEMBL22873547 0.92 GPR119 (0.40) TRPV3GPR119RXRARXRBRXRG
SCHEMBL20437475 0.92 GPR119 (0.40) GPR119ALKRXRARXRBRXRG
SCHEMBL31084354 0.91 GPR119 (0.39) GPR119ALKRXRARXRBRXRG
SCHEMBL28608218 0.87 RXRA (0.45) GPR119RXRARXRBRXRGCDK4

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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