SCHEMBL10772287

SCHEMBL10772287

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC2(c3ccccc3)CCCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.62
▸ P2RY1 P47900 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ P2RY2 P41231 3/20 0.58
▸ SRC P12931 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PRKAA1 Q13131 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58
▸ P2RY11 Q96G91 1/20 0.58

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
SCHEMBL10770779 0.99 ADORA1 (0.63) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10771888 0.97 ADORA1 (0.63) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10767890 0.95 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10769378 0.87 ADORA1 (0.58) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10768245 0.86 ADORA1 (0.56) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10770247 0.85 ADORA1 (0.54) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10770712 0.83 ADORA1 (0.57) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10771568 0.83 ADORA1 (0.56) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10867621 0.82 ADORA1 (0.55) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL622588 0.82 ADORA1 (0.69) ADORA1P2RY1SMN1; SMN2P2RY2SRC

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
EP-0232813-A2 N6-substituted Adenosines WARNER-LAMBERT COMPANY (US) 1987-08-19 — — EP disclosed
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