SCHEMBL6157535

SCHEMBL6157535

CCCn1cnc(NC(CC)CC)c2nc(C3CC3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
CACNA1B Q00975 2/20 0.35
CACNA1A O00555 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
PDE10A Q9Y233 4/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
TMIGD3 P0DMS9 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CRHR1 P34998 2/20 0.30
ABL1 P00519 1/20 0.30

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
Hydrochloric Acid SCHEMBL1388273 0.99 CCNA2 (0.41) CCNA2CDK2CCNA1CACNA1BCACNA1A
SCHEMBL1388150 0.85 PDE10A (0.44) CCNA2CDK2CCNA1ADORA2AADORA1
Hydrochloric Acid SCHEMBL7022609 0.84 PDE10A (0.43) CCNA2CDK2CCNA1PDE10ACTSL
SCHEMBL1387934 0.84 PDE4A (0.42) CTSLCTSB
SCHEMBL1388096 0.83 PDE10A (0.39) CCNA2CDK2CCNA1CDK1ADORA2A
Hydrochloric Acid SCHEMBL7022799 0.83 CTSL (0.41) CTSLCTSB
SCHEMBL5964495 0.82 CTSL (0.47) ADORA2AADORA1ADORA3PDE10ACTSL
SCHEMBL1387911 0.82 PDE10A (0.40) ADORA2AADORA1PDE10ACTSLCTSB
SCHEMBL6157541 0.81 PDE10A (0.39) CDK1CCNB1ADORA2AADORA1PDE10A
Hydrochloric Acid SCHEMBL7031819 0.81 PDE10A (0.39) ADORA2AADORA1PDE10ACTSLCTSB

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 5 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
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