SCHEMBL4564220

SCHEMBL4564220

O=C(O)N1CCN(CCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 4/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
FAAH O00519 2/20 0.36
CCR2 P41597 2/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL3595758 0.90 DRD2 (0.41) LMNAHTTMAPTCETPHTR1A
SCHEMBL3677797 0.90 CNR1 (0.42) LMNAHTTMAPTCETPDRD2
SCHEMBL3593525 0.89 DRD2 (0.48) LMNAHTTMAPTCETPDRD2
SCHEMBL15170649 0.89 CETP (0.37) LMNAHTTMAPTCETPHTR1A
SCHEMBL3593742 0.89 P2RX7 (0.40) CETPHTR1ADRD2DRD3LTA4H
SCHEMBL3585947 0.88 CETP (0.40) LMNAHTTMAPTCETPHTR1A
SCHEMBL3594738 0.87 CETP (0.38) LMNAHTTMAPTCETPHTR1A
SCHEMBL3594261 0.86 CETP (0.47) LMNAHTTMAPTCETPKMT2A
SCHEMBL3591074 0.86 CETP (0.45) LMNAHTTMAPTCETPKMT2A
SCHEMBL3588823 0.85 P2RX7 (0.42) CETPLTA4H

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-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