SCHEMBL4436288

SCHEMBL4436288

O=C1C(I)CC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
P2RX3 P56373 2/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRM5 P41594 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
SCHEMBL4436415 0.84 LMNA (0.36) ALDH1A1LMNAP2RX3FAAH
SCHEMBL3582513 0.83 SLC6A2 (0.39) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3582511 0.83 SLC6A2 (0.39) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4447057 0.83 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592531 0.83 ALDH1A1 (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592535 0.83 ALDH1A1 (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592961 0.82 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592965 0.82 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3583868 0.81 FAAH (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3583863 0.81 FAAH (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed