SCHEMBL5944101

SCHEMBL5944101

CCNC(=O)[C@@]1(CCCCN)O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.56
▸ TSHR P16473 3/20 0.56
▸ HSP90B1 P14625 3/20 0.56
▸ ADORA2B P29275 3/20 0.56
▸ ADORA2A P29274 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HSP90AA1 P07900 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TMIGD3 P0DMS9 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AHCY P23526 1/20 0.51
▸ PRKACA P17612 1/20 0.50
▸ PRMT5 O14744 1/20 0.49

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
SCHEMBL5944284 0.88 ADORA3 (0.53) ADORA3TSHRHSP90B1ADORA2BADORA2A
SCHEMBL5944004 0.83 DOT1L (0.61) ADORA3TSHRHSP90B1ADORA2BADORA2A
SCHEMBL22797500 0.77 PRMT5 (0.60) ADORA3ADORA2BADORA2AMAPK1ADORA1
SCHEMBL6297541 0.76 PRMT5 (0.58) ADORA3HSP90B1ADORA2BADORA2AMAPK1
SCHEMBL11518921 0.76 PRMT5 (0.58) ADORA3HSP90B1ADORA2BADORA2AMAPK1
SCHEMBL9024944 0.76 PRMT5 (0.58) ADORA3HSP90B1ADORA2BADORA2AMAPK1
SCHEMBL9024927 0.76 PRMT5 (0.58) ADORA3HSP90B1ADORA2BADORA2AMAPK1
SCHEMBL13770321 0.72 PRMT5 (0.65) ADORA3ADORA2BADORA2AMAPK1ADORA1
Neca SCHEMBL19928418 0.72 TSHR (1.00) ADORA3TSHRHSP90B1ADORA2BADORA2A
Neca SCHEMBL16585523 0.72 TSHR (1.00) ADORA3TSHRHSP90B1ADORA2BADORA2A

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-20060211045-A1 Fluorescently tagged ligands CELLAURA TECHNOLOGIES LIMITED (GB) 2006-09-21 — — US disclosed
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