SCHEMBL4702178

SCHEMBL4702178

CCOC(=O)N1CCC(O)(c2ccccc2Oc2ccc(C)cc2)CC1.COc1ccc(Oc2ccccc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
LMNA P02545 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL4702930 0.93 L3MBTL1 (0.44) APPL3MBTL1ALDH1A1TSHRPSEN1
SCHEMBL4704779 0.91 GPR119 (0.44) APPL3MBTL1TSHRKMT2AGPR119
SCHEMBL4699744 0.91 ALDH1A1 (0.47) APPALDH1A1TSHRLMNAOPRD1
SCHEMBL4703685 0.89 L3MBTL1 (0.54) APPL3MBTL1ALDH1A1TSHRPSEN1
SCHEMBL4700627 0.82 L3MBTL1 (0.53) APPL3MBTL1ALDH1A1TSHRPSEN1
SCHEMBL4702948 0.81 APP (0.57) APPL3MBTL1ALDH1A1TSHRPSEN1
SCHEMBL6160222 0.81 OPRM1 (0.53) APPTSHRPSEN1PSEN2APH1B
SCHEMBL4702942 0.81 APP (0.44) APPL3MBTL1ALDH1A1TSHRPSEN1
SCHEMBL9528495 0.80 APP (0.66) APPL3MBTL1ALDH1A1PSEN1PSEN2
SCHEMBL4789410 0.79 HTR1A (0.42) L3MBTL1TSHRMEN1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635828-B1 4-(2-PHENYLOXYPHENYL)-PIPERIDINE OR -1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-04-23 EP disclosed