SCHEMBL4535624

SCHEMBL4535624

Cc1cccc2c1c(C(=O)NCC1(O)CCCCC1)cn2-c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.52
IL1B P01584 9/20 0.52
CHRM1 P11229 1/20 0.43

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
SCHEMBL4542300 1.00 P2RX7 (0.52) P2RX7IL1BCHRM1
SCHEMBL3746886 0.88 P2RX7 (0.64) P2RX7IL1B
SCHEMBL3641795 0.88 P2RX7 (0.64) P2RX7IL1B
SCHEMBL3748009 0.87 P2RX7 (0.62) P2RX7IL1B
SCHEMBL13706752 0.86 P2RX7 (0.47) P2RX7IL1B
SCHEMBL4528078 0.86 P2RX7 (0.47) P2RX7IL1B
SCHEMBL4534853 0.84 P2RX7 (0.52) P2RX7IL1B
SCHEMBL4355954 0.84 HCN1 (0.62) P2RX7
SCHEMBL4536523 0.84 P2RX7 (0.63) P2RX7IL1B
SCHEMBL4536107 0.83 P2RX7 (0.64) P2RX7IL1B

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
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed