SCHEMBL27645271

SCHEMBL27645271

Clc1cc(CC2CCN(c3ccnc4ccc[c]c34)CC2)cc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.40
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHKA P35790 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL2098511 0.80 CCR3 (0.42) CCR3SLC6A2SLC6A4CA12CA1
SCHEMBL2098513 0.80 CCR3 (0.42) CCR3SLC6A2SLC6A4CA12CA1
SCHEMBL27665945 0.69 EPHX2 (0.38) CHRM1ALK
SCHEMBL27645196 0.68 DRD2 (0.41) CCR3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL27666154 0.65 KCNH2 (0.54) ALDH1A1KDM4ESMN1; SMN2CYP3A4CHRM1
SCHEMBL2092573 0.64 ALDH1A1 (0.43) SLC6A2SLC6A4CA12CA1CA2
SCHEMBL2092569 0.64 RPS6KB1 (0.46) CCR3SLC6A2SLC6A4CA12CA1
SCHEMBL27666019 0.63 CHRM4 (0.50) PKMALOX15CASP1HSD17B10ALDH1A1
SCHEMBL27666016 0.62 ADRB2 (0.47) SLC6A2SLC6A4KDM4EKCNH2HRH3
SCHEMBL27644442 0.62 SLC6A2 (0.40) CCR3SLC6A2SLC6A4ALDH1A1KDM4E

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed