SCHEMBL6890599

SCHEMBL6890599

Cc1ccnc(OC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LRRK2 Q5S007 3/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
UHRF1 Q96T88 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
S1PR1 P21453 2/20 0.40
CRHR1 P34998 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL17303577 0.96 LOX (0.55) LOXLOXL2KDM4EALDH1A1L3MBTL1
SCHEMBL30072605 0.96 LOX (0.55) LOXLOXL2KDM4EALDH1A1L3MBTL1
SCHEMBL16453455 0.94 LOX (0.53) LOXLOXL2KDM4EALDH1A1L3MBTL1
SCHEMBL15829858 0.86 SYK (0.48) LOXLOXL2LRRK2HCRTR1HCRTR2
SCHEMBL8277607 0.86 HDAC6 (0.50) LOXLOXL2LRRK2HCRTR1HCRTR2
SCHEMBL631617 0.85 LOX (0.46) LOXLOXL2KDM4EALDH1A1L3MBTL1
SCHEMBL427767 0.85 LRRK2 (0.48) LOXLOXL2LRRK2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5335017 0.85 SYK (0.47) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL427040 0.82 LOX (0.42) LOXLOXL2KDM4EHCRTR1HCRTR2
SCHEMBL20909924 0.82 LOX (0.42) LOXLOXL2KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121562-B Polycyclic compounds as inhibitors of bruton's tyrosine kinase 詹森药业有限公司 2022-09-13 CN disclosed
CN-1304372-C Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 2007-03-14 CN disclosed
EP-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP disclosed
US-6077854-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-20 US disclosed
US-5786354-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-28 US disclosed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 CN disclosed
EP-0770065-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-02 EP disclosed
WO-1995035281-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO disclosed