SCHEMBL3748561

SCHEMBL3748561

CCn1c(=O)c2c(nc(C(C)c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.59
MAOB P27338 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
ADORA2B P29275 2/20 0.59
ADORA1 P30542 2/20 0.59
HTR1A P08908 1/20 0.59
CYP2C9 P11712 1/20 0.59
PDE4A P27815 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL4637336 0.77 ADORA2A (0.60) ADORA2AMAOBADORA3ADORA2BADORA1
SCHEMBL3748563 0.75 MAOB (0.61) ADORA2AMAOBADORA3ADORA2BADORA1
Istradefylline SCHEMBL633263 0.74 ADORA2A (1.00) ADORA2AMAOBADORA3ADORA2BADORA1
Istradefylline SCHEMBL29471410 0.74 ADORA2A (1.00) ADORA2AMAOBADORA3ADORA2BADORA1
Istradefylline SCHEMBL5967914 0.74 ADORA2A (1.00) ADORA2AMAOBADORA3ADORA2BADORA1
Istradefylline SCHEMBL633262 0.74 ADORA2A (1.00) ADORA2AMAOBADORA3ADORA2BADORA1
Istradefylline SCHEMBL30358491 0.74 ADORA2A (1.00) ADORA2AMAOBADORA3ADORA2BADORA1
SCHEMBL28126790 0.74 ADORA2A (0.58) ADORA2AMAOBADORA3ADORA2BADORA1
SCHEMBL14546946 0.72 ADORA2A (0.85) ADORA2AMAOBADORA3ADORA2BADORA1
SCHEMBL14541714 0.71 ADORA2A (0.92) ADORA2AMAOBADORA3ADORA2BADORA1

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
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO claimed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
US-7829332-B2 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom CORNELL RESEARCH FOUNDATION, INC. (US) 2010-11-09 US disclosed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO disclosed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US disclosed