SCHEMBL5747142

SCHEMBL5747142

Cc1ccc2nc(N3CCC(N)C3)ccc2c1C(=O)NCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.54
GAA P10253 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40

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
SCHEMBL1804304 1.00 P2RX7 (0.54) P2RX7GAAACACBACACABCL2
SCHEMBL1805240 0.89 P2RX7 (0.69) P2RX7
SCHEMBL5767624 0.89 P2RX7 (0.69) P2RX7
SCHEMBL1805331 0.89 P2RX7 (0.69) P2RX7
Hydrochloric Acid SCHEMBL3842335 0.88 P2RX7 (0.68) P2RX7
SCHEMBL5745880 0.84 P2RX7 (0.67) P2RX7
SCHEMBL1803780 0.84 P2RX7 (0.67) P2RX7
SCHEMBL5747489 0.84 P2RX7 (0.49) P2RX7ACACBACACA
SCHEMBL3837843 0.84 P2RX7 (0.49) P2RX7ACACBACACA
SCHEMBL3837020 0.83 P2RX7 (0.65) P2RX7

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
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed