SCHEMBL7459803

SCHEMBL7459803

O=CNCC(CCCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.50
CHRM3 P20309 1/20 0.50
CACNA1G O43497 3/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR1A P08908 2/20 0.47
HTR7 P34969 1/20 0.47
CCR3 P51677 8/20 0.47
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR1 P32246 4/20 0.46
KCNH2 Q12809 1/20 0.45
KCNA3 P22001 1/20 0.45

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 SCHEMBL7467316 0.99 CHRM4 (0.52) CHRM4CHRM3CACNA1GDRD2DRD4
Hydrochloric Acid SCHEMBL8869803 0.99 CHRM4 (0.52) CHRM4CHRM3CACNA1GDRD2DRD4
SCHEMBL8313258 0.93 CHRM4 (0.56) CHRM4CHRM3DRD2DRD4SIGMAR1
SCHEMBL7462282 0.93 DRD2 (0.49) CACNA1GDRD2DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL7459710 0.92 DRD2 (0.49) CHRM4CHRM3CACNA1GDRD2DRD4
SCHEMBL7471015 0.88 DRD2 (0.53) CACNA1GDRD2DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL7463586 0.88 DRD2 (0.53) CACNA1GDRD2DRD4SIGMAR1HTR1A
SCHEMBL7470176 0.86 CHRM4 (0.48) CHRM4CHRM3DRD2DRD4SIGMAR1
Hydrochloric Acid SCHEMBL7459516 0.85 CHRM4 (0.50) CHRM4CHRM3DRD2DRD4SIGMAR1
SCHEMBL7465175 0.85 DRD3 (0.51) DRD2DRD4HTR7CCR3HTR2A

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 4 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
EP-0679642-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-11-10 EP disclosed
EP-0679642-A1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-02 EP disclosed