SCHEMBL4817641

SCHEMBL4817641

CC1(C)C[CH]N(C(=O)NCCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
EPHX2 P34913 1/20 0.46
P2RX4 Q99571 2/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
BCHE P06276 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
P2RX7 Q99572 1/20 0.44
NPC1 O15118 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4822600 0.86 KDM4E (0.48) EPHX1P2RX4ALDH1A1BCHENPSR1
SCHEMBL4818504 0.78 HDAC3 (0.47) RAB9AALDH1A1MAPTCYP2C19BCHE
SCHEMBL4819758 0.77 ALDH1A1 (0.50) ALDH1A1BCHEHPGDSMN1; SMN2GAA
SCHEMBL4817652 0.77 EPHX2 (0.62) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL4817632 0.77 EPHX2 (0.62) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL23123894 0.72 ALDH1A1 (0.53) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL23123265 0.71 EPHX1 (0.56) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL23123358 0.70 CYP3A4 (0.52) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL23123751 0.70 P2RX4 (0.49) EPHX1EPHX2P2RX4RAB9AALDH1A1
SCHEMBL29789883 0.70 P2RX4 (0.49) EPHX1EPHX2P2RX4RAB9AALDH1A1

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