SCHEMBL4591147

SCHEMBL4591147

O=C(Nc1ccccc1)OC1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.56
MAOB P27338 2/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
CCR3 P51677 1/20 0.48
ACHE P22303 2/20 0.48
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHRNA7 P36544 2/20 0.46
HSD11B1 P28845 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL2821924 1.00 BCHE (0.56) BCHEMAOBNPC1RAB9AATM
SCHEMBL4680830 0.94 PTPN1 (0.51) BCHEMAOBNPC1RAB9AATM
SCHEMBL2825700 0.93 NPC1 (0.56) BCHEMAOBNPC1RAB9AATM
SCHEMBL8259525 0.90 SMN1; SMN2 (0.51) BCHEMAOBFAAHMGLLCYP1A2
SCHEMBL4589756 0.89 KDM4E (0.49) BCHEMAOBNPC1RAB9AATM
SCHEMBL2824404 0.89 KDM4E (0.49) BCHEMAOBNPC1RAB9AATM
SCHEMBL13910106 0.89 ALDH1A1 (0.54) BCHEMAOBNPC1RAB9AMGLL
SCHEMBL8249953 0.87 GFER (0.56) RAB9ACYP1A2CYP2C9CYP2C19HSD11B1
SCHEMBL8259627 0.87 RAB9A (0.49) BCHEMAOBNPC1RAB9AATM
SCHEMBL936129 0.85 BCHE (0.53) BCHEMAOBRAB9ACCR3ACHE

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-1893200-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-05 EP disclosed
WO-2006123244-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed