SCHEMBL8491979

SCHEMBL8491979

CCCNC1COc2cc3c(cc2C1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
HTR1B P28222 1/20 0.44
DRD2 P14416 10/20 0.41
DRD3 P35462 8/20 0.41
DRD4 P21917 3/20 0.41
MTNR1A P48039 1/20 0.41
SIGMAR1 Q99720 1/20 0.35
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33

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
SCHEMBL8491004 0.97 HTR1D (0.44) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8473729 0.80 MTNR1A (0.40) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL6932136 0.79 SIGMAR1 (0.42) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4101018 0.76 DRD2 (0.59) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL5239331 0.75 SIGMAR1 (0.49) DRD2DRD3DRD4SIGMAR1
SCHEMBL8390072 0.75 SIGMAR1 (0.49) DRD2DRD3DRD4SIGMAR1
SCHEMBL5239324 0.75 SIGMAR1 (0.49) DRD2DRD3DRD4SIGMAR1
SCHEMBL4100144 0.74 DRD2 (0.61) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8486031 0.74 MTNR1A (0.53) MTNR1A
Hydrochloric Acid SCHEMBL10583535 0.74 DRD2 (0.56) HTR1DHTR1BDRD2DRD3DRD4

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
EP-0768307-B1 Heterocyclic tertiary amines, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-26 EP disclosed