SCHEMBL7660416

SCHEMBL7660416

Cc1cc(N2CCNCC2)ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.58
ABCB11 O95342 1/20 0.48
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB1 P08588 1/20 0.44
GPR55 Q9Y2T6 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
SCHEMBL7555239 0.82 P2RX7 (0.55) P2RX7ABCB11MEN1ALDH1A1KMT2A
SCHEMBL7660361 0.81 EPHX2 (0.54) P2RX7ABCB11MEN1ALDH1A1KMT2A
SCHEMBL6941223 0.78 P2RX7 (0.70) P2RX7ABCB11GPR55
SCHEMBL7554394 0.76 GFER (0.49) GFERMEN1KMT2AADRB1
SCHEMBL7667240 0.76 P2RX7 (0.47) P2RX7ABCB11MEN1ALDH1A1KMT2A
SCHEMBL6939157 0.75 P2RX7 (0.82) P2RX7
SCHEMBL6939826 0.75 P2RX7 (0.68) P2RX7ABCB11ALDH1A1GPR55
SCHEMBL18992830 0.73 P2RX7 (0.62) P2RX7ALDH1A1KMT2A
SCHEMBL24670708 0.73 MEN1 (0.55) MEN1ALDH1A1KMT2AADRB1
SCHEMBL29803340 0.73 ADRB1 (0.54) MEN1ALDH1A1KMT2AADRB1

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
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US claimed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed