SCHEMBL7471015

SCHEMBL7471015

O=CNCC(CCCN1CCN(c2ccc(F)cc2)CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.53
DRD3 P35462 10/20 0.53
HTR1A P08908 9/20 0.53
HTR2A P28223 9/20 0.53
SIGMAR1 Q99720 6/20 0.53
TMEM97 Q5BJF2 5/20 0.53
DRD1 P21728 4/20 0.53
DRD5 P21918 3/20 0.53
HRH1 P35367 5/20 0.52
HTR2C P28335 4/20 0.52
DRD4 P21917 3/20 0.52
CACNA1G O43497 1/20 0.52
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.50
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRM1 P11229 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A2 P23975 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
Hydrochloric Acid SCHEMBL7463586 0.99 DRD2 (0.53) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7462282 0.96 DRD2 (0.49) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL7459710 0.95 DRD2 (0.49) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7470176 0.89 CHRM4 (0.48) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL7459516 0.88 CHRM4 (0.50) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7459803 0.88 CHRM4 (0.50) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL7467316 0.88 CHRM4 (0.52) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL8869803 0.88 CHRM4 (0.52) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7458791 0.86 DRD2 (0.47) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL7464721 0.85 CHRM4 (0.46) DRD2DRD3HTR1AHTR2ASIGMAR1

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