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Sugi Predict / Compounds / SCHEMBL4732445

SCHEMBL4732445

SCHEMBL4732445

CCC(C)(C)C(=O)Nc1cc(CN(C)CCOC)c(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.53
▸ CNR1 P21554 4/20 0.53
▸ PDCD1 Q15116 2/20 0.41
▸ CD274 Q9NZQ7 2/20 0.41
▸ F10 P00742 1/20 0.38
▸ BRD4 O60885 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL4733693 0.90 CNR2 (0.53) CNR2CNR1PDCD1CD274ABL1
SCHEMBL14206962 0.88 CNR2 (0.45) CNR2CNR1PDCD1CD274F10
SCHEMBL4783553 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL4732697 0.80 CNR2 (0.53) CNR2CNR1ABL1
SCHEMBL14207105 0.78 CNR2 (0.64) CNR2CNR1BRD4
SCHEMBL14314466 0.75 CNR2 (0.59) CNR2CNR1BRD4ABL1
SCHEMBL4781327 0.75 CNR2 (0.60) CNR2CNR1BRD4
SCHEMBL4731505 0.74 CNR2 (0.59) CNR2CNR1BRD4MAP4K1
SCHEMBL4733593 0.74 CNR2 (0.52) CNR2CNR1
SCHEMBL4730502 0.73 CNR2 (0.53) CNR2CNR1BRD4

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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 — — WO claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 — — WO disclosed