SCHEMBL7906331

SCHEMBL7906331

CO[C@@H]1[C@H](O)[C@@H](COCC2c3ccccc3-c3ccccc32)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.54
▸ ADORA3 P0DMS8 2/20 0.53
▸ RNASEL Q05823 5/20 0.51
▸ P2RY11 Q96G91 2/20 0.50
▸ DNPH1 O43598 1/20 0.50
▸ PRKAB2 O43741 1/20 0.50
▸ TRPM2 O94759 1/20 0.50
▸ LDHA P00338 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ FBP1 P09467 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ P2RY2 P41231 1/20 0.50
▸ P2RY1 P47900 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7896946 0.92 ADORA1 (0.53) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL10345329 0.90 ADORA1 (0.63) ADORA1ADORA3P2RY11DNPH1PRKAB2
SCHEMBL7904290 0.89 ADORA1 (0.55) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL7906337 0.85 HSPA5 (0.62) ADORA1ADORA3RNASEL
SCHEMBL7902968 0.85 ADORA1 (0.53) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL7906321 0.84 ADORA1 (0.51) ADORA1ADORA3RNASEL
SCHEMBL7902955 0.84 ADORA1 (0.58) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL21999233 0.83 ADORA3 (0.64) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL8626012 0.83 ADORA3 (0.64) ADORA1ADORA3RNASELP2RY11DNPH1
SCHEMBL12360837 0.83 ADORA3 (0.64) ADORA1ADORA3RNASELP2RY11DNPH1

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
Send feedback