SCHEMBL7571526

SCHEMBL7571526

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.70
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL2709199 0.91 P2RX7 (0.70) P2RX7
SCHEMBL7571523 0.83 P2RX7 (1.00) P2RX7
SCHEMBL19428658 0.82 L3MBTL1 (0.62) NPC1RAB9AALDH1A1MAPT
SCHEMBL7656222 0.82 P2RX7 (0.81) P2RX7
SCHEMBL7660207 0.81 P2RX7 (0.77) P2RX7
SCHEMBL7656113 0.79 P2RX7 (0.70) P2RX7
SCHEMBL7571529 0.77 P2RX7 (1.00) P2RX7
SCHEMBL7455062 0.77 SMN1; SMN2 (0.55) P2RX7TP53MAPT
SCHEMBL7571536 0.77 P2RX7 (0.70) P2RX7
SCHEMBL7571757 0.76 MEN1 (0.53) P2RX7ALDH1A1

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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed