SCHEMBL5160892

SCHEMBL5160892

O=C(O)CN1CCNCC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.57
SLC6A3 Q01959 7/20 0.57
SLC6A2 P23975 6/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
MITF O75030 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
DPP4 P27487 3/20 0.47
DPP7 Q9UHL4 2/20 0.45
REN P00797 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
SCHEMBL16908331 0.89 CA1 (0.55) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL2115137 0.86 MITF (0.57) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL31541868 0.84 SLC6A2 (0.43) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL27784843 0.84 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL27505917 0.82 SLC6A2 (0.63) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL1415727 0.82 SLC6A2 (0.63) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL6936570 0.82 SLC6A2 (0.63) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL9844016 0.81 MITF (0.55) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL25154352 0.80 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL22620855 0.80 SLC6A2 (0.57) SLC6A4SLC6A3SLC6A2CA1CA2

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-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed