SCHEMBL4033537

SCHEMBL4033537

Cc1cc(N(C)CCNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
DCPS Q96C86 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
CCR3 P51677 5/20 0.40
PDE2A O00408 1/20 0.40
CCR1 P32246 1/20 0.40
HRH1 P35367 3/20 0.39
ROCK2 O75116 2/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7485667 0.85 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4040765 0.76 MEN1 (0.48) MEN1KMT2AMCHR1SIGMAR1DCPS
SCHEMBL6312412 0.74 MEN1 (0.46) MEN1KMT2AMCHR1SIGMAR1DCPS
SCHEMBL7491507 0.74 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL13888608 0.74 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL6312769 0.71 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4033625 0.70 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1DCPS
SCHEMBL4033461 0.70 ACHE (0.51) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4034063 0.70 MEN1 (0.66) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4036032 0.70 ACHE (0.62) MEN1KMT2ASIGMAR1SMN1; SMN2CCR3

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
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed