SCHEMBL19464930

SCHEMBL19464930

CNc1nc(SC)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)CC[C@H]12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 14/20 0.68
▸ P2RY2 P41231 5/20 0.67
▸ P2RY11 Q96G91 2/20 0.51
▸ HTR2B P41595 3/20 0.48
▸ ADORA3 P0DMS8 3/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ ENPP1 P22413 2/20 0.46
▸ P2RY12 Q9H244 1/20 0.46
▸ P2RX1 P51575 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45

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
SCHEMBL19464929 0.99 P2RY1 (0.68) P2RY1P2RY2P2RY11HTR2BADORA3
SCHEMBL19464927 0.94 P2RY1 (0.66) P2RY1P2RY2HTR2BADORA3HTR2C
SCHEMBL19807534 0.92 P2RY1 (0.79) P2RY1P2RY2P2RY11HTR2BADORA3
SCHEMBL19807424 0.89 P2RY1 (0.85) P2RY1P2RY2P2RY11ENPP1P2RY12
SCHEMBL19807425 0.89 P2RY1 (0.84) P2RY1P2RY2P2RY11HTR2BADORA3
SCHEMBL21710875 0.88 P2RY1 (0.85) P2RY1P2RY2P2RY11ADORA3ENPP1
SCHEMBL19464972 0.88 P2RY1 (0.85) P2RY1P2RY2P2RY11HTR2BADORA3
SCHEMBL19464971 0.86 P2RY1 (0.83) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19807529 0.85 P2RY1 (0.84) P2RY1P2RY2P2RY11ADORA3P2RX3
SCHEMBL19807532 0.85 P2RY1 (0.78) P2RY1P2RY2HTR2BADORA3HTR2C

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-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
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