SCHEMBL7278528

SCHEMBL7278528

CCCc1cc(N)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.37
ADORA2B P29275 3/20 0.36
ADORA1 P30542 1/20 0.36
ADORA2A P29274 2/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
GAA P10253 1/20 0.32
BCAT2 O15382 1/20 0.31
USP2 O75604 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
SCHEMBL7272832 0.88 NOS2 (0.44) NOS2ADORA2BADORA1ADORA2ATLR7
SCHEMBL5223298 0.83
SCHEMBL1293068 0.82 BCHE (0.39) ADORA2BADORA1ADORA2A
SCHEMBL9965045 0.77 BCHE (0.49) NOS2NOS3NOS1POLBKDM4E
SCHEMBL16255821 0.77
SCHEMBL1292950 0.77
SCHEMBL23401592 0.75 POLB (0.40) NOS2NOS3NOS1BACE1POLB
SCHEMBL7054377 0.73 NOS2 (0.43) NOS2NOS3NOS1ADORA2BADORA1
SCHEMBL1293033 0.73 BCHE (0.39) POLBADORA2BADORA1ADORA2AKDM4E
SCHEMBL18010658 0.73 POLB (0.46) BACE1POLBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021183439-A1 SUBSTITUTED FURO[3,2-D]PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2021-09-16 WO disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed