SCHEMBL5480294

SCHEMBL5480294

O=C(O)N1CCN(CCCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KCNA5 P22460 1/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
THRB P10828 1/20 0.58
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPT P10636 4/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 4/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5487159 0.90 TSHR (0.55) HPGDALDH1A1MEN1KMT2AKCNA5
SCHEMBL20512386 0.88 POLB (0.48) HPGDALDH1A1MEN1KMT2AKCNA5
SCHEMBL5482274 0.84 L3MBTL1 (0.62) ALDH1A1MEN1KMT2AKCNA5KDM4E
SCHEMBL20512374 0.83 RAB9A (0.55) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL5481509 0.81 DRD2 (0.67) ALDH1A1MEN1KMT2AKCNA5
SCHEMBL2175897 0.80 TSHR (0.56) HPGDALDH1A1MEN1KMT2AKCNA5
SCHEMBL3985948 0.80 HRH3 (0.67) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5486856 0.80 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKCNA5KDM4E
SCHEMBL5487964 0.79 DRD2 (0.51) ALDH1A1MEN1KMT2AKCNA5KDM4E
SCHEMBL5480360 0.77 POLB (0.58) ALDH1A1MEN1KMT2AKCNA5KDM4E

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-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP claimed
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP disclosed