SCHEMBL8893689

SCHEMBL8893689

C=CCN(CCC)C1CCc2ccc3c(c2C1)CCN3

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.62
HTR1B P28222 9/20 0.58
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL7587763 0.91 HTR1D (0.49) HTR1DHTR1BKDM4EMEN1CYP1A2
SCHEMBL8315256 0.77 HTR1D (1.00) HTR1DHTR1B
SCHEMBL11275455 0.74 HTR1D (0.61) HTR1DHTR1BKDM4EMEN1CYP1A2
SCHEMBL2599107 0.74 HTR1A (0.76) HTR1DHTR1BMEN1CYP1A2TSHR
SCHEMBL2599112 0.74 HTR1A (0.76) HTR1DHTR1BMEN1CYP1A2TSHR
SCHEMBL8312983 0.74 HTR1B (1.00) HTR1DHTR1BHTR1A
SCHEMBL9669337 0.72 HTR1D (0.60) HTR1DHTR1BDRD2HTR1A
SCHEMBL9670474 0.71 HTR1D (0.32) HTR1DHTR1B
SCHEMBL2599184 0.69 DRD2 (0.79) CYP1A2CYP3A4TSHRDRD2HTR1A
SCHEMBL2599183 0.69 DRD2 (0.79) CYP1A2CYP3A4TSHRDRD2HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed