SCHEMBL28477398

SCHEMBL28477398

Cn1c(C2(O)CC2)nc2c1CCN(C(=O)O)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
P2RX7 Q99572 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP9 Q86TI2 1/20 0.31
PDK2 Q15119 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL30522697 0.82 MAPT (0.40) CNR2
SCHEMBL28758427 0.78 CNR2 (0.35) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL28895623 0.77 PDCD1 (0.36) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL23244377 0.74 CNR2 (0.49) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL23850214 0.67 P2RX7 (0.47) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL28579456 0.67 GRM5 (0.40) CNR2GRM5
SCHEMBL23374970 0.66 CCR5 (0.42) P2RX7DPP4DPP8DPP7DPP9
SCHEMBL10325665 0.66 GRM5 (0.44) P2RX7PDK2GRM5
SCHEMBL19638123 0.65 CNR2 (0.38) CNR2P2RX7PDK2
SCHEMBL20460745 0.63 CCR5 (0.44) CNR2P2RX7DPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925367-B Fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-07 CN disclosed
CN-111925367-A Fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2020-11-13 CN disclosed