SCHEMBL8041901

SCHEMBL8041901

O=C(Nc1ncnc2c1ncn2C1C(=O)N(OCc2ccccc2)C1COCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.41
DNPH1 O43598 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
P2RY2 P41231 2/20 0.37
P2RY1 P47900 1/20 0.37
P2RY6 Q15077 1/20 0.37
NT5E P21589 1/20 0.36

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
SCHEMBL8038432 0.83 TAS1R3 (0.39) NT5E
SCHEMBL8040365 0.80 ADORA1 (0.42) P2RY12PRMT6P2RY2P2RY1P2RY6
SCHEMBL8045409 0.76 ABL1 (0.46) P2RY2P2RY6NT5E
SCHEMBL9416275 0.76 P2RY12 (0.40) P2RY12DNPH1PRMT6
SCHEMBL9416276 0.76 P2RY12 (0.40) P2RY12DNPH1PRMT6
SCHEMBL9416296 0.74 ADORA3 (0.43) P2RY12DNPH1
SCHEMBL9416297 0.74 ADORA3 (0.43) P2RY12DNPH1
SCHEMBL9416263 0.74 P2RY12 (0.39) P2RY12DNPH1PRMT6
SCHEMBL31497736 0.74 ADORA2A (0.40) P2RY12DNPH1PRMT6
SCHEMBL9416265 0.74 P2RY12 (0.39) P2RY12DNPH1PRMT6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084082-A SOLID PHASE SYNTHESIS BY ATTACHING BETA-LACTAM HAVING NUCLEOBASE TO SOLID SUPPORT, DEPROTECTING HYDROXY GROUP, REACTING FREE HYDROXYL GROUP WITH BETA-LACTAMTIDE HAVING ACTIVATED PHOSPHITE GROUP, AND OXIDIZING ISIS PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
US-5866691-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1999-02-02 US disclosed
US-5554746-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1996-09-10 US disclosed