SCHEMBL8350372

SCHEMBL8350372

CCNOC(c1ccccc1)(N(C=O)CC)[C@@]1(CCC(=O)NCCN(C(C)=O)c2ccc(N)cc2)O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 6/20 0.39
▸ ADORA1 P30542 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90B1 P14625 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AHCY P23526 2/20 0.37
▸ CARM1 Q86X55 1/20 0.36

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
SCHEMBL8242276 0.70 TSHR (0.43) PRKACAADORA1TSHRADORA3ADORA2A
SCHEMBL8472359 0.66 NT5E (0.48) ADORA1TSHRADORA3ADORA2AADORA2B
SCHEMBL8481124 0.65 PRKACA (0.49) PRKACAADORA1TSHRADORA3ADORA2A
SCHEMBL8664263 0.62 ADORA3 (0.47) PRKACAADORA1ADORA3ADORA2AADORA2B
SCHEMBL5944004 0.61 DOT1L (0.61) PRKACAADORA1TSHRADORA3ADORA2A
SCHEMBL5944101 0.60 ADORA3 (0.56) PRKACAADORA1TSHRADORA3ADORA2A
SCHEMBL10886606 0.59 AHCY (0.65) ADORA1TSHRADORA3ADORA2AADORA2B
SCHEMBL5944284 0.59 ADORA3 (0.53) ADORA1TSHRADORA3ADORA2AADORA2B
SCHEMBL9024927 0.59 PRMT5 (0.58) ADORA1ADORA3ADORA2AADORA2BMAPK1
SCHEMBL9024944 0.59 PRMT5 (0.58) ADORA1ADORA3ADORA2AADORA2BMAPK1

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-5932558-A PROMOTE MIGRATION OF ENDOTHELIAL CELLS, FIBROBLASTS AND EPITHELIAL CELLS NEW YORK UNIVERSITY (US) 1999-08-03 — — US disclosed
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