SCHEMBL7501670

SCHEMBL7501670

O=C(O)N1CCN(C(=O)CCCCCc2c[nH]cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TIPARP Q7Z3E1 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP13 P45452 3/20 0.36

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
SCHEMBL7440324 0.89 ALDH1A1 (0.39) LMNAMAPTNPSR1HTR1AHTR7
SCHEMBL7449469 0.80 ALDH1A1 (0.38) LMNAMAPT
SCHEMBL2896033 0.78 TBXAS1 (0.49) LMNAMAPT
SCHEMBL26589771 0.78 TBXAS1 (0.49) LMNAMAPT
SCHEMBL7451579 0.78 DRD2 (0.41)
SCHEMBL13779971 0.78 KMT2A (0.43) LMNAMAPT
SCHEMBL291231 0.77 TBXAS1 (0.46) LMNAMAPT
SCHEMBL7452641 0.75 DRD2 (0.37) NPSR1HTR7SIGMAR1
SCHEMBL7447625 0.74 TBXAS1 (0.63) LMNAMAPTNPSR1
SCHEMBL7357227 0.74 CAPN1 (0.40)

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-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed