SCHEMBL2512341

SCHEMBL2512341

Cc1ccc(N2CCN(CCCNc3cc(Cl)nc4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 10/20 0.55
SLC6A4 P31645 2/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
HRH1 P35367 2/20 0.53
SLC6A2 P23975 1/20 0.50
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
SLC2A1 P11166 1/20 0.47

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
SCHEMBL2522515 0.87 ACP1 (0.52) ACP1SLC6A4DRD2HTR2AHRH1
SCHEMBL17688782 0.82 ACP1 (0.68) ACP1
SCHEMBL5276042 0.79 HRH3 (0.65) ACP1
SCHEMBL2486143 0.77 HRH3 (0.70)
SCHEMBL491641 0.74 ACP1 (0.70) ACP1
SCHEMBL7288986 0.73 DRD4 (0.47) SLC6A4DRD2SLC6A2
SCHEMBL2485055 0.72 HRH3 (0.73)
SCHEMBL28506410 0.71 SLC2A1 (0.57) HTR1AADRA1DADRA1AADRA1BSLC2A1
SCHEMBL2487986 0.71 HRH3 (0.68)
SCHEMBL5281506 0.71 ACP1 (0.66) ACP1

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-2379505-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY Designmedix, Inc. (US) 2011-10-26 EP disclosed
WO-2010065932-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO disclosed