SCHEMBL9870458

SCHEMBL9870458

O=C(CC1CCCN(CCCl)C1)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9870507 0.89 DRD2 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7383749 0.85 DRD2 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9870941 0.83 DRD2 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11868495 0.81 DRD2 (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9870723 0.81 DRD2 (0.65) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7379763 0.79 MEN1 (0.70) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9870819 0.78 KMT2A (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11862181 0.77 DRD2 (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4050900 0.77 DRD3 (0.60) DRD2HTR2AMEN1KMT2ACHRM2
SCHEMBL6611458 0.76 DRD2 (0.65) DRD2HTR2AHTR2CHTR2BSIGMAR1

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-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed