SCHEMBL6158172

SCHEMBL6158172

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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 SCHEMBL1388208 0.99 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CHRNB2CHRNA7CHRNA4
SCHEMBL1388129 0.82 PDE10A (0.32) PDE10A
SCHEMBL7377560 0.82 LMNA (0.38) ALDH1A1CHRNB2CHRNA7CHRNA4PDE10A
Hydrochloric Acid SCHEMBL7026316 0.81 PDE10A (0.31) PDE10A
SCHEMBL1387976 0.81 ADORA2A (0.38) CHRNB2CHRNA7CHRNA4PDE10APDE4A
SCHEMBL1388160 0.79 CTSL (0.34) CHRNB2CHRNA7CHRNA4PDE4APDE4B
SCHEMBL1388150 0.78 PDE10A (0.44) CHRNB2CHRNA7CHRNA4PDE10APDE4A
Hydrochloric Acid SCHEMBL7105815 0.78 CTSL (0.33) CHRNB2CHRNA7CHRNA4PDE4APDE4B
Hydrochloric Acid SCHEMBL7022609 0.77 PDE10A (0.43) CHRNB2CHRNA7CHRNA4PDE10APDE4A
SCHEMBL1387934 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D

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
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-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed