SCHEMBL5487080

SCHEMBL5487080

COc1cccc(-c2cccc(CCCN3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.66
DRD2 P14416 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
FAAH O00519 3/20 0.52
DRD4 P21917 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
SCHEMBL5481354 0.92 SIGMAR1 (0.61) SIGMAR1DRD2MEN1KMT2AKDM4E
SCHEMBL5475896 0.87 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13624854 0.83 SIGMAR1 (0.71) SIGMAR1DRD2KDM4EALDH1A1DRD4
SCHEMBL2178312 0.83 SIGMAR1 (0.54) SIGMAR1DRD2FAAH
SCHEMBL5480249 0.82 MEN1 (0.61) SIGMAR1MEN1KMT2ALMNAFAAH
SCHEMBL5490036 0.81 MEN1 (0.55) SIGMAR1DRD2MEN1KMT2AKDM4E
SCHEMBL5477755 0.79 FAAH (0.57) SIGMAR1DRD2MEN1KMT2AFAAH
SCHEMBL18672550 0.78 SIGMAR1 (1.00) SIGMAR1
SCHEMBL2931334 0.78 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27564901 0.77 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AKDM4EALDH1A1

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