SCHEMBL7470176

SCHEMBL7470176

O=CNCC(CCCN1CCN(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1A P08908 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TP53 P04637 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
Hydrochloric Acid SCHEMBL7459516 0.99 CHRM4 (0.50) CHRM4CHRM3HTR1ADRD2HTR2A
SCHEMBL7458791 0.97 DRD2 (0.47) CHRM4CHRM3HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7464721 0.96 CHRM4 (0.46) CHRM4CHRM3HTR1ADRD2HTR2A
SCHEMBL7462282 0.94 DRD2 (0.49) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL8315796 0.93 HTR1A (0.48) CHRM4CHRM3HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7459710 0.93 DRD2 (0.49) CHRM4CHRM3HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL8310440 0.92 HTR1A (0.47) CHRM4CHRM3HTR1ADRD2HTR2A
SCHEMBL8313258 0.92 CHRM4 (0.56) CHRM4CHRM3HTR1ADRD2HTR2A
SCHEMBL7464684 0.90 DRD2 (0.49) CHRM4CHRM3HTR1ADRD2HTR2A
SCHEMBL7471015 0.89 DRD2 (0.53) HTR1ADRD2HTR2AHRH1DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP claimed
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed