Sugi Predict

Sugi Predict / Compounds / SCHEMBL6694983

SCHEMBL6694983

SCHEMBL6694983

Cc1ccccc1CNCCCNc1ccc2c(C(C(N)=O)C34CC5CC(CC(C5)C3)C4)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.43
▸ CD38 P28907 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ VCP P55072 1/20 0.32

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
SCHEMBL6686286 0.92 P2RX7 (0.43) P2RX7MEN1KMT2A
SCHEMBL6658009 0.91 P2RX7 (0.42) P2RX7AURKARPS6KB1MEN1KMT2A
SCHEMBL6651560 0.89 P2RX7 (0.43) P2RX7CHRM2MEN1KMT2A
SCHEMBL6655499 0.87 P2RX7 (0.42) P2RX7AURKARPS6KB1VCP
SCHEMBL6653472 0.87 P2RX7 (0.45) P2RX7
SCHEMBL6653481 0.84 P2RX7 (0.45) P2RX7
SCHEMBL6647801 0.82 P2RX7 (0.52) P2RX7
SCHEMBL6651900 0.81 P2RX7 (0.47) P2RX7
Hydrochloric Acid SCHEMBL6674326 0.81 P2RX7 (0.60) P2RX7
SCHEMBL6655639 0.80 P2RX7 (0.45) 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-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 — — EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 — — WO disclosed