SCHEMBL12896972

SCHEMBL12896972

COc1ccc(Cl)cc1C1CCN(C2CCCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.49
PTGDR Q13258 5/20 0.49
ABCB1 P08183 1/20 0.49
DRD2 P14416 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGER2 P43116 1/20 0.46
F10 P00742 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAM17 P78536 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SLC18A3 Q16572 1/20 0.43

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
SCHEMBL1266524 1.00 PTGDR2 (0.49) PTGDR2PTGDRABCB1DRD2ADRA1D
SCHEMBL12897608 0.87 DRD2 (0.46) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL12897236 0.87 F10 (0.46) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL1267220 0.86 DRD2 (0.48) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL14640344 0.85 PTGDR2 (0.62) PTGDR2PTGDRMEN1KMT2APTGER2
SCHEMBL12897232 0.85 DRD2 (0.45) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL12896751 0.85 CHRM4 (0.45) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL12896481 0.84 MEN1 (0.45) PTGDR2PTGDRDRD2ADRA1DADRA1A
SCHEMBL12896953 0.84 CHRM4 (0.53) PTGDR2ABCB1DRD2ADRA1DADRA1A
SCHEMBL12897047 0.84 CHRM4 (0.53) PTGDR2ABCB1DRD2ADRA1DADRA1A

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
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed