SCHEMBL7904290

SCHEMBL7904290

CO[C@@H]1[C@H](O)[C@@H](COC2c3ccccc3-c3ccccc32)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.55
▸ ADORA3 P0DMS8 3/20 0.54
▸ RNASEL Q05823 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ P2RY11 Q96G91 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ P2RY2 P41231 1/20 0.51
▸ P2RY1 P47900 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PDE3A Q14432 1/20 0.51

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
SCHEMBL10345560 0.90 ADORA1 (0.64) ADORA1ADORA3SMN1; SMN2P2RY11DNPH1
SCHEMBL7906331 0.89 ADORA1 (0.54) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL7896942 0.84 ADORA1 (0.55) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL7902980 0.84 ADORA1 (0.51) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL12376383 0.84 ADORA3 (0.64) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL12360837 0.84 ADORA3 (0.64) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL8626012 0.84 ADORA3 (0.64) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL21999233 0.84 ADORA3 (0.64) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL7708744 0.83 ADORA3 (0.55) ADORA1ADORA3RNASELSMN1; SMN2P2RY11
SCHEMBL7708739 0.83 ADORA3 (0.55) ADORA1ADORA3RNASELSMN1; SMN2P2RY11

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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