SCHEMBL6157541

SCHEMBL6157541

CCCCCNc1ncn(CCC)c2nc(C3CC3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
CTSL P07711 3/20 0.39
TMIGD3 P0DMS9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CRHR1 P34998 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CTSB P07858 1/20 0.31

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
SCHEMBL1388158 0.99 CTSL (0.40) PDE10ACTSLTMIGD3ADORA2AADORA1
Hydrochloric Acid SCHEMBL1388275 0.99 PDE10A (0.38) PDE10ACTSLTMIGD3ADORA2AADORA1
Hydrochloric Acid SCHEMBL7025802 0.98 CTSL (0.40) PDE10ACTSLTMIGD3ADORA2AADORA1
SCHEMBL1387911 0.96 PDE10A (0.40) PDE10ACTSLTMIGD3ADORA2AADORA1
Hydrochloric Acid SCHEMBL7031819 0.95 PDE10A (0.39) PDE10ACTSLTMIGD3ADORA2AADORA1
SCHEMBL7373821 0.95 CTSL (0.43) PDE10ACTSLCCNB2CDK1CCNB1
SCHEMBL1388096 0.88 PDE10A (0.39) PDE10ACTSLTMIGD3ADORA2AADORA1
SCHEMBL1388150 0.88 PDE10A (0.44) PDE10ACTSLTMIGD3ADORA2AADORA1
SCHEMBL6155674 0.87 PDE10A (0.41) PDE10ACTSLALDH1A1TLR8
Hydrochloric Acid SCHEMBL7022609 0.87 PDE10A (0.43) PDE10ACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP claimed
EP-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP claimed
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US claimed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US claimed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed