SCHEMBL6770096

SCHEMBL6770096

O=CNCC(CCN1CCOCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
SIGMAR1 Q99720 1/20 0.47
TACR2 P21452 2/20 0.45
MCHR1 Q99705 6/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6770103 0.84 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SIGMAR1TACR2
SCHEMBL4483285 0.80 MCHR1 (0.44) TACR2MCHR1CCR5
SCHEMBL6770099 0.78 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3SIGMAR1TACR2
SCHEMBL4475059 0.76 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3MCHR1ALDH1A1
SCHEMBL6770900 0.74 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6770174 0.73 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1
SCHEMBL14775196 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3SIGMAR1KDM4E
SCHEMBL4468911 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6770082 0.67 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3TACR2ALDH1A1
SCHEMBL9737250 0.67 TACR2 (0.58) SLC6A2SLC6A4SLC6A3SIGMAR1TACR2

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-6821973-B2 ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS ASTRAZENECA AB (SE) 2004-11-23 US claimed