SCHEMBL4531028

SCHEMBL4531028

Cc1ccnc2c1c(C(=O)NCC1(c3cccnc3)CCCCC1)cn2-c1ncccn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.60
SLC6A9 P48067 1/20 0.41
IL1B P01584 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
KCNA3 P22001 1/20 0.38
SPR P35270 1/20 0.37

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
SCHEMBL3688124 0.90 P2RX7 (0.58) P2RX7SLC6A9IL1BLMNA
SCHEMBL4536523 0.88 P2RX7 (0.63) P2RX7SLC6A9IL1BMEN1ALDH1A1
SCHEMBL13706752 0.84 P2RX7 (0.47) P2RX7IL1B
SCHEMBL4528078 0.84 P2RX7 (0.47) P2RX7IL1B
SCHEMBL3646428 0.81 P2RX7 (0.64) P2RX7SLC6A9IL1B
SCHEMBL3645343 0.81 P2RX7 (0.54) P2RX7SLC6A9IL1BLMNA
SCHEMBL3691548 0.81 P2RX7 (0.54) P2RX7SLC6A9IL1BMEN1ALDH1A1
SCHEMBL3647578 0.80 P2RX7 (0.59) P2RX7SLC6A9IL1BMEN1ALDH1A1
SCHEMBL13706719 0.80 P2RX7 (0.55) P2RX7SLC6A9IL1BMEN1ALDH1A1
SCHEMBL4531759 0.80 P2RX7 (0.54) P2RX7SLC6A9IL1B

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