SCHEMBL4447331

SCHEMBL4447331

CC(C)CN1CCN(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.37
CCR2 P41597 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
GRM2 Q14416 1/20 0.35
CETP P11597 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.34

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
SCHEMBL4441032 0.91 DRD2 (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3592606 0.87 ALDH1A1 (0.41) MEN1KMT2AHTTCCR2MC4R
SCHEMBL3601606 0.87 CCR2 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3584352 0.86 MEN1 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3588568 0.85 ALDH1A1 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3593060 0.85 ALDH1A1 (0.49) MEN1KMT2AHTTDRD2CCR2
SCHEMBL13168194 0.84 CNR1 (0.45) MEN1CYP3A4KMT2AHTTNPSR1
SCHEMBL3593844 0.83 LMNA (0.37) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3582084 0.81 HTT (0.42) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3582452 0.81 NPSR1 (0.40) MEN1CYP1A2CYP3A4CYP2C19KMT2A

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