SCHEMBL15080294

SCHEMBL15080294

CNC1=NC2(CCc3cc(-c4c(C)n[nH]c4C)ccc3C2)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.38
BRD4 O60885 2/20 0.34
ABL1 P00519 1/20 0.34
CHEK1 O14757 1/20 0.33
AKT2 P31751 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ACVR1 Q04771 1/20 0.32
BRD3 Q15059 1/20 0.32
TNIK Q9UKE5 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKCQ Q04759 1/20 0.31
HDAC1 Q13547 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
SCHEMBL12203463 0.87 OTUD7B (0.40) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL7916587 0.85 TAAR1 (0.42) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL7924966 0.85 TAAR1 (0.42) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL7916591 0.85 TAAR1 (0.42) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL12203567 0.83 OTUD7B (0.40) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL7923477 0.81 TAAR1 (0.42) OTUD7BBRD4ABL1CHEK1AKT2
SCHEMBL15080293 0.81 HTR7 (0.35) BRD4PIK3CDPIK3CG
SCHEMBL15080312 0.78 CYP3A4 (0.36)
SCHEMBL15080311 0.78 BACE1 (0.40)
SCHEMBL7928718 0.76 OTUD7B (0.39) OTUD7BBRD4ABL1CHEK1AKT2

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-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed