SCHEMBL5161774

SCHEMBL5161774

NC(=O)C(CO)(c1ccccc1)C1CCNCC1c1ccccc1.NC1CCNCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TACR1 P25103 3/20 0.38
KDM1A O60341 2/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MAOB P27338 1/20 0.34
JAK3 P52333 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
SCHEMBL5176921 0.94 MAPT (0.44) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5161856 0.84 MAPT (0.49) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5156698 0.83 MAPT (0.43) MAPTPKMTACR1KDM1AFPR1
SCHEMBL6482543 0.81 MAPT (0.41) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5161625 0.78 MAPT (0.39) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5160136 0.76 SLC18A3 (0.53) MAPTPKMKDM1AADRA2ADRD2
SCHEMBL5158454 0.76 ALDH1A1 (0.42) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5161360 0.75 MAPT (0.46) MAPTPKMTACR1KDM1AFPR1
SCHEMBL5156095 0.74 MAPT (0.41) MAPTPKMTACR1FPR1DRD2
SCHEMBL5158881 0.73 MAPT (0.48) MAPTPKMTACR1KDM1AFPR1

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