SCHEMBL9159693

SCHEMBL9159693

CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(N)cc4)cc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.77
ADORA2B P29275 6/20 0.77
KDM4E B2RXH2 1/20 0.77
ALDH1A1 P00352 1/20 0.77
CYP3A4 P08684 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.77
ALOX15 P16050 1/20 0.77
ADORA1 P30542 1/20 0.77
PMP22 Q01453 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HSD17B10 Q99714 1/20 0.77

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
Xanthine Amine Congener SCHEMBL1000686 0.87 ADORA2A (1.00) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
Xanthine Amine Congener SCHEMBL15124872 0.87 ADORA2A (0.98) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
Xanthine Amine Congener SCHEMBL25227375 0.87 ADORA2A (0.98) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL7384619 0.83 ADORA2A (0.69) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL14564551 0.83 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7220958 0.82 ADORA2B (1.00) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL14564549 0.81 ADORA2A (0.75) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL14564548 0.81 ADORA2A (0.75) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL9164820 0.81 ADORA2B (0.80) ADORA2AADORA2BKDM4EALDH1A1CYP3A4
SCHEMBL7038268 0.80 ADORA2A (0.85) ADORA2AADORA2BKDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424297-A Adenosine dextran conjugates UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1995-06-13 US claimed