SCHEMBL743847

SCHEMBL743847

O=C(c1cc[c]cc1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
SCN4A P35499 1/20 0.40
DPP4 P27487 3/20 0.38
CTSC P53634 2/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 1/20 0.37
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
RIPK1 Q13546 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
PSMB8 P28062 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
SCHEMBL7289268 0.93 HTR2C (0.38) ELANESCN4ADPP4CTSCHRH2
SCHEMBL6922149 0.91 MEN1 (0.35) ELANESCN4AHRH2HRH1NOS2
SCHEMBL168919 0.82 ELANE (0.54) ELANESCN4ADPP4CTSCHTR2C
SCHEMBL20482434 0.82 ELANE (0.54) ELANESCN4ADPP4CTSCHTR2C
SCHEMBL20482162 0.82 ELANE (0.54) ELANESCN4ADPP4CTSCHTR2C
SCHEMBL27623273 0.81 ELANE (0.43) ELANESCN4AHRH2HRH1HTR2C
SCHEMBL18589371 0.79 MGLL (0.44) ELANEHTR2C
SCHEMBL7416214 0.79 HSD11B1 (0.44) ELANESCN4AHRH2HRH1
SCHEMBL18607990 0.79 MGLL (0.44) ELANEHTR2C
SCHEMBL28322880 0.79 MEN1 (0.54) ELANESCN4A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed