SCHEMBL27596289

SCHEMBL27596289

CCCN(C)CCCCOC1CC[C](C)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
SIGMAR1 Q99720 1/20 0.34
LSS P48449 2/20 0.34
HTR1A P08908 1/20 0.31

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
SCHEMBL24607816 0.77 HTR1D (0.48) HTR1DHTR1BSIGMAR1
SCHEMBL27578301 0.76 SIGMAR1 (0.41) HTR1DHTR1BSIGMAR1LSS
SCHEMBL27902902 0.75 CHRM2 (0.30)
SCHEMBL27596346 0.74 SIGMAR1 (0.43) HTR1DHTR1BSIGMAR1LSS
SCHEMBL27581069 0.74 LSS (0.36) SIGMAR1LSS
SCHEMBL27596290 0.74 LSS (0.34) SIGMAR1LSS
SCHEMBL27581076 0.73 HTR1D (0.35) HTR1DHTR1BSIGMAR1
SCHEMBL7203862 0.73 GBA1 (0.40) HTR1DHTR1BLSS
SCHEMBL7211437 0.71 EPHX2 (0.34) LSS
SCHEMBL7211441 0.71 EPHX2 (0.34) LSS

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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN disclosed