SCHEMBL9595103

SCHEMBL9595103

O=C1COc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.71
HTR2C P28335 4/20 0.71
SIGMAR1 Q99720 1/20 0.61
DRD2 P14416 6/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 1/20 0.56
KMT2A Q03164 1/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 4/20 0.54
DRD5 P21918 1/20 0.52

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
SCHEMBL9594603 0.94 HTR1A (0.69) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL9594420 0.86 DRD4 (0.74) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL9594629 0.83 HTR1A (1.00) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL8786686 0.83 DRD2 (0.60) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL9659923 0.83 HTR1A (0.65) HTR1AHTR2CSIGMAR1DRD2HTR2A
SCHEMBL6903300 0.81 DRD4 (0.74) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL9594197 0.79 DRD4 (0.79) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL10864650 0.79 DRD2 (0.74) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL8787679 0.78 DRD2 (0.53) HTR1AHTR2CSIGMAR1DRD2DRD3
SCHEMBL8948129 0.77 HTR1A (0.70) HTR1AHTR2CSIGMAR1DRD2HTR2A

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-5225409-A Serotoninergic disorders; anxiolytic agents; schizophrenia ADIR ET COMPAGNIE (FR) 1993-07-06 US claimed