SCHEMBL17858321

SCHEMBL17858321

C=Cc1cccc2c1c(C(=O)O)cn2CC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
P2RX7 Q99572 18/20 0.49
IL1B P01584 17/20 0.49

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
SCHEMBL17818726 0.84 P2RX7 (0.66) CNR1CNR2P2RX7IL1B
SCHEMBL17818907 0.81 P2RX7 (0.66) CNR1CNR2P2RX7IL1B
SCHEMBL17818957 0.78 P2RX7 (0.64) P2RX7IL1B
SCHEMBL17818968 0.72 P2RX7 (0.64) CNR1CNR2P2RX7IL1B
SCHEMBL28155873 0.71 CNR1 (0.69) CNR1CNR2P2RX7IL1B
SCHEMBL17858310 0.70 IL1B (0.67) P2RX7IL1B
SCHEMBL17858309 0.69 IL1B (0.48) CNR1CNR2P2RX7IL1B
SCHEMBL17818776 0.69 KDM4C (0.47) CNR1CNR2P2RX7IL1B
SCHEMBL17818838 0.69 P2RX7 (0.65) P2RX7IL1B
SCHEMBL2994140 0.68 CNR1 (0.51) CNR1CNR2

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
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed