SCHEMBL7572049

SCHEMBL7572049

Cc1ccc(C)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.71
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
AVPR1A P37288 1/20 0.59
ABCB11 O95342 1/20 0.59
EPHX2 P34913 1/20 0.54
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL7569231 0.87 P2RX7 (0.58) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL4876478 0.87 P2RX7 (0.68) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL7577116 0.87 P2RX7 (0.55) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL7568709 0.83 P2RX7 (1.00) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL4880000 0.80 P2RX7 (0.59) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL19321961 0.80 P2RX7 (0.63) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL4877202 0.79 P2RX7 (0.67) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL19354785 0.78 P2RX7 (0.72) P2RX7MEN1ALDH1A1KMT2AHDAC11
SCHEMBL7665408 0.78 P2RX7 (0.78) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL4880025 0.77 P2RX7 (0.68) 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-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