SCHEMBL6312769

SCHEMBL6312769

CC(C)(C)N(CCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 3/20 0.55
MCHR1 Q99705 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH1 P35367 2/20 0.49
CCR3 P51677 2/20 0.49
UTS2R Q9UKP6 2/20 0.48
ARG1 P05089 2/20 0.46
ARG2 P78540 2/20 0.46
MAOB P27338 1/20 0.46
SLC6A12 P48065 1/20 0.45
FAAH O00519 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
SCHEMBL4034063 0.81 MEN1 (0.66) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL4039589 0.79 MCHR1 (0.56) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL7491507 0.78 MEN1 (0.58) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL6312739 0.76 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL13888608 0.76 MEN1 (0.58) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL12511819 0.75 SIGMAR1 (0.70) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL5056848 0.75 TSHR (0.47) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL4036032 0.74 ACHE (0.62) MEN1KMT2ASIGMAR1SMN1; SMN2HRH1
SCHEMBL2213082 0.74 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1MCHR1SMN1; SMN2
SCHEMBL2238599 0.73 OPRM1 (0.51) MEN1KMT2ASIGMAR1KDM4EALDH1A1

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-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed