SCHEMBL27498570

SCHEMBL27498570

CCCCCN1CCC(c2c[nH]c3ccc(N(CC)C(=O)Nc4ccccc4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.51
HTR1B P28222 15/20 0.51
CHRM2 P08172 1/20 0.51
DRD2 P14416 1/20 0.51
CCR2 P41597 2/20 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
SCHEMBL7483818 0.92 HTR1D (0.57) HTR1DHTR1BCHRM2DRD2
SCHEMBL27498200 0.92 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2
SCHEMBL7475547 0.89 HTR1D (0.56) HTR1DHTR1BCHRM2DRD2
SCHEMBL27481048 0.86 HTR1D (0.55) HTR1DHTR1B
SCHEMBL27498199 0.85 HTR1D (0.48) HTR1DHTR1BCHRM2DRD2
SCHEMBL27482196 0.83 HTR1D (0.47) HTR1DHTR1BCHRM2DRD2CCR2
SCHEMBL7479525 0.83 HTR1D (0.48) HTR1DHTR1BCHRM2DRD2CCR2
SCHEMBL7487565 0.82 HTR1D (0.55) HTR1DHTR1BCHRM2DRD2CCR2
SCHEMBL7486703 0.82 HTR1D (0.61) HTR1DHTR1BCHRM2DRD2
SCHEMBL7480403 0.80 HTR1D (0.74) HTR1DHTR1BCHRM2DRD2

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-1184425-A 5-substituted-3- (1,2,3, 6-tetrahydropyridin-4-yl) -and 3- (piperidin-4-yl) -1H-indoles, 5-HT1FAgonists LILLY CO ELI (US) 1998-06-10 CN disclosed