SCHEMBL7320041

SCHEMBL7320041

COc1ccc2c(c1)OC(CNCC(C)C)CC2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.55
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HTR6 P50406 1/20 0.47
FFAR1 O14842 1/20 0.45

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
SCHEMBL7318081 0.86 NFKB1 (0.48) NFKB1NFKB2RELAHTR6
SCHEMBL7323697 0.84 HTR1A (0.61) HTR1AHTR1DHTR6
SCHEMBL8845524 0.83 DRD2 (0.59) HTR1AHTR1D
SCHEMBL7322671 0.82 DRD2 (0.65)
SCHEMBL7319400 0.82 HTR1A (0.64) HTR1AHTR1DHTR6
SCHEMBL7315046 0.81 DRD2 (0.64) HTR1AHTR1DHTR6
SCHEMBL8845097 0.81 HTR6 (0.70) HTR1AHTR1DHTR6
SCHEMBL8844943 0.81 DRD2 (0.69) HTR6
SCHEMBL8844838 0.79 DRD2 (0.55) HTR1AHTR1D
SCHEMBL8844835 0.79 HTR1A (0.52) HTR1AHTR1DHTR6FFAR1

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
US-5684039-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed