SCHEMBL7909173

SCHEMBL7909173

CO[C@@H]1[C@H](O)[C@@H](COCc2cccc3ccccc23)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.52
▸ NNMT P40261 4/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ PDE2A O00408 3/20 0.51
▸ RNASEL Q05823 3/20 0.49
▸ P2RX1 P51575 1/20 0.49
▸ P2RX3 P56373 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ P2RX7 Q99572 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ HSPA5 P11021 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
SCHEMBL10606033 0.91 NNMT (0.61) ADORA1NNMTADORA3P2RX1P2RX3
SCHEMBL7906337 0.86 HSPA5 (0.62) ADORA1ADORA3PDE2ARNASELHSPA5
SCHEMBL7902955 0.82 ADORA1 (0.58) ADORA1ADORA3RNASEL
SCHEMBL21999233 0.81 ADORA3 (0.64) ADORA1ADORA3RNASELADORA2AADORA2B
SCHEMBL12376383 0.81 ADORA3 (0.64) ADORA1ADORA3RNASELADORA2AADORA2B
SCHEMBL8626012 0.81 ADORA3 (0.64) ADORA1ADORA3RNASELADORA2AADORA2B
SCHEMBL12360837 0.81 ADORA3 (0.64) ADORA1ADORA3RNASELADORA2AADORA2B
SCHEMBL7906331 0.81 ADORA1 (0.54) ADORA1ADORA3RNASELP2RX1P2RX3
SCHEMBL13269158 0.80 ADORA1 (0.63) ADORA1ADORA3P2RX1P2RX3P2RX4
SCHEMBL6223541 0.80 ADORA3 (0.63) ADORA1ADORA3RNASELADORA2AADORA2B

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-RE37077-E1 Adenosine derivatives and pharmaceutical composition thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 — — US disclosed
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