SCHEMBL6884080

SCHEMBL6884080

CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccco4)nn3c2)C1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.76
DUSP22 Q9NRW4 3/20 0.52
PTPN7 P35236 1/20 0.52

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
SCHEMBL6885002 0.87 ADORA2A (0.73) ADORA2A
SCHEMBL990511 0.87 ADORA2A (1.00) ADORA2A
SCHEMBL6878200 0.85 ADORA2A (0.77) ADORA2A
SCHEMBL6883482 0.85 ADORA2A (0.70) ADORA2A
SCHEMBL6884055 0.84 ADORA2A (0.69) ADORA2A
SCHEMBL6884462 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL1044059 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL6884088 0.79 ADORA2A (0.70) ADORA2A
SCHEMBL12923678 0.78 ADORA2A (0.64) ADORA2A
SCHEMBL6879417 0.78 ADORA2A (0.73) ADORA2A

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
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US disclosed