SCHEMBL4821035

SCHEMBL4821035

Cn1c(C(=O)N2[CH]CC(C)(C)C2)cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.52
▸ SLC9A1 P19634 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CHRNA7 P36544 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL4821039 0.77 MCL1 (0.54) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL4821026 0.77 MCL1 (0.54) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL4814546 0.74 TSHR (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4814966 0.72 HRH4 (0.54) SLC9A1RAB9ADRD2DRD3CHRNA7
SCHEMBL2323444 0.72 MCL1 (0.71) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL16599480 0.71 MCL1 (0.76) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL20846381 0.71 MCL1 (0.59) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL6141961 0.71 DRD2 (0.60) MCL1SLC9A1MAPTMEN1KMT2A
SCHEMBL29944143 0.71 MCL1 (0.59) MCL1SLC9A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28264080 0.70 MCL1 (0.69) MCL1SLC9A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 — — US claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 — — US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 — — EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 — — WO disclosed
Send feedback