SCHEMBL8019455

SCHEMBL8019455

NC(=O)CCC1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.56
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CHRM3 P20309 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR3 P51677 1/20 0.48

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
SCHEMBL7319939 0.82 SLC6A4 (0.57) MCHR1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7319934 0.82 SLC6A4 (0.57) MCHR1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11389782 0.81 MCHR1 (0.61) MCHR1MEN1KMT2ACHRM3LMNA
SCHEMBL11389788 0.81 MCHR1 (0.61) MCHR1MEN1KMT2ACHRM3LMNA
SCHEMBL4486114 0.78 MEN1 (0.60) MCHR1HTR2AHTR2BSIGMAR1SLC6A4
SCHEMBL4486120 0.78 MEN1 (0.60) MCHR1HTR2AHTR2BSIGMAR1SLC6A4
SCHEMBL7304622 0.78 S1PR1 (0.67) MCHR1MEN1KMT2ACHRM3LMNA
SCHEMBL7304629 0.78 S1PR1 (0.67) MCHR1MEN1KMT2ACHRM3LMNA
Hydrochloric Acid SCHEMBL25415886 0.78 HTR2A (0.55) MCHR1HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL25415884 0.78 HTR2A (0.55) MCHR1HTR2AHTR2CHTR2BSIGMAR1

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-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 WO disclosed