SCHEMBL7940268

SCHEMBL7940268

CC(C)C[C@](C(=O)NNCC1(C)COC1)([C@@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 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
SCHEMBL6941960 0.88 ADAM17 (0.33) P2RX3
SCHEMBL7937958 0.87 P2RX3 (0.31) P2RX3
SCHEMBL7928806 0.86 P2RX3 (0.34) P2RX3
SCHEMBL8107435 0.85 KMT2A (0.31)
SCHEMBL7937824 0.84 SMN1; SMN2 (0.33)
SCHEMBL8111767 0.81 GAA (0.33)
SCHEMBL7940281 0.77 CCNA2 (0.31) P2RX3
SCHEMBL6944688 0.77 P2RX3 (0.31) P2RX3
SCHEMBL7940265 0.77 GAA (0.33)
SCHEMBL7933428 0.75 P2RX3 (0.33) P2RX3

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-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed