SCHEMBL29707399

SCHEMBL29707399

CC(C)(C)OC(=O)N1CC=C(c2ccc(CCN)c(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.53
▸ NAMPT P43490 1/20 0.50
▸ GRM1 Q13255 8/20 0.48
▸ GRM5 P41594 7/20 0.48
▸ LIPC P11150 1/20 0.46
▸ LIPG Q9Y5X9 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ CYP11B2 P19099 1/20 0.44
▸ CDK7 P50613 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ SOS1 Q07889 1/20 0.43
▸ QDPR P09417 1/20 0.43
▸ BTK Q06187 1/20 0.42

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
SCHEMBL31174297 0.86 NAMPT (0.56) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL6366609 0.86 NAMPT (0.56) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL15184378 0.85 NAMPT (0.53) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL29707442 0.84 PDK4 (0.49) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL22957460 0.84 PDK4 (0.49) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL24319593 0.84 TLR7 (0.52) TLR7NAMPTGRM1GRM5LIPC
SCHEMBL29566866 0.84 NAMPT (0.54) TLR7NAMPTGRM1GRM5LIPC
SCHEMBL15178435 0.84 NAMPT (0.54) TLR7NAMPTGRM1GRM5PDK4
SCHEMBL24309522 0.84 NAMPT (0.54) TLR7NAMPTGRM1GRM5LIPC
SCHEMBL19703157 0.83 NAMPT (0.53) TLR7NAMPTGRM1GRM5PDK4

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
EP-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 — — EP disclosed
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