SCHEMBL11075002

SCHEMBL11075002

C=CCN(CCC)C1CCC(c2ccc(OCC)cc2)(N(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 4/20 0.35
TET3 O43151 2/20 0.35
FBXL19 Q6PCT2 2/20 0.35
TET1 Q8NFU7 2/20 0.35
KDM2B Q8NHM5 2/20 0.35
CXXC4 Q9H2H0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
CXXC5 Q7LFL8 1/20 0.35
HTR1A P08908 1/20 0.35
MEN1 O00255 1/20 0.34
HTR1B P28222 1/20 0.34
OPRL1 P41146 5/20 0.34
OPRM1 P35372 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LSS P48449 1/20 0.33
NQO1 P15559 1/20 0.32

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
SCHEMBL11077463 0.90 OPRM1 (0.46) HTR1DHTR1AOPRL1OPRM1
SCHEMBL11076134 0.85 HTR1D (0.38) HTR1DHTR1AHTR1BOPRL1OPRM1
SCHEMBL11076865 0.78 HTR1D (0.36) HTR1DKMT2AHTR1AMEN1HTR1B
SCHEMBL11075507 0.77 HTR1D (0.39) HTR1DHTR1AHTR1BLSS
SCHEMBL11067219 0.77 HTR1D (0.38) HTR1DKMT2AHTR1AMEN1HTR1B
SCHEMBL11076041 0.77 BCHE (0.44) KMT2AMEN1OPRL1OPRM1
SCHEMBL11076438 0.76 SLC6A4 (0.43) KMT2AOPRL1OPRM1KDM4EALDH1A1
SCHEMBL11070194 0.76 HTR1D (0.37) HTR1DKMT2AHTR1AMEN1HTR1B
SCHEMBL11076941 0.75 HTR1D (0.40) HTR1DHTR1AHTR1BOPRM1
SCHEMBL11076146 0.75 HTR1D (0.36) HTR1DHTR1AHTR1BOPRL1OPRM1

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
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed