SCHEMBL9606027

SCHEMBL9606027

CC(C)N1C(=O)CCC1C(=O)NCc1ccc(N)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.80
KMT2A Q03164 1/20 0.59
TSHR P16473 1/20 0.57

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
SCHEMBL3287061 0.89 P2RX7 (1.00) P2RX7
SCHEMBL3287064 0.89 P2RX7 (1.00) P2RX7
SCHEMBL2575460 0.87 P2RX7 (1.00) P2RX7
SCHEMBL2575459 0.87 P2RX7 (1.00) P2RX7
SCHEMBL3287214 0.81 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL3287218 0.81 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL2578506 0.80 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL3287224 0.80 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL8013224 0.80 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL3287222 0.80 P2RX7 (1.00) P2RX7KMT2A

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
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed