SCHEMBL7464684

SCHEMBL7464684

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD4 P21917 2/20 0.49
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
TP53 P04637 1/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
HRH1 P35367 2/20 0.46
DRD3 P35462 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR7 P34969 2/20 0.45
HTR2C P28335 2/20 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 SCHEMBL7464708 0.99 CHRM4 (0.49) DRD2DRD4CHRM4CHRM3TP53
SCHEMBL7470176 0.90 CHRM4 (0.48) DRD2DRD4CHRM4CHRM3TP53
Hydrochloric Acid SCHEMBL7459516 0.89 CHRM4 (0.50) DRD2DRD4CHRM4CHRM3TP53
SCHEMBL7458791 0.87 DRD2 (0.47) DRD2DRD4CHRM4CHRM3TP53
Hydrochloric Acid SCHEMBL7464721 0.86 CHRM4 (0.46) DRD2DRD4CHRM4CHRM3TP53
SCHEMBL7462282 0.85 DRD2 (0.49) DRD2DRD4TP53HTR1AHTR2A
Hydrochloric Acid SCHEMBL7459710 0.84 DRD2 (0.49) DRD2DRD4CHRM4CHRM3TP53
SCHEMBL8315796 0.84 HTR1A (0.48) DRD2CHRM4CHRM3HTR1AHTR2A
Hydrochloric Acid SCHEMBL8310440 0.83 HTR1A (0.47) DRD2CHRM4CHRM3HTR1AHTR2A
SCHEMBL8313258 0.82 CHRM4 (0.56) DRD2DRD4CHRM4CHRM3HTR1A

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