SCHEMBL17654095

SCHEMBL17654095

c1ccc(NCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.74
KCNH2 Q12809 1/20 0.61
DRD2 P14416 4/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR1A P08908 3/20 0.57
CYP2D6 P10635 1/20 0.56
CHRNA7 P36544 1/20 0.53
HTR2A P28223 1/20 0.52
HTR6 P50406 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL4443786 0.89 HTR7 (0.61) HTR7KCNH2DRD2HTR1A
SCHEMBL7737516 0.89 HTR7 (0.58) HTR7DRD2
SCHEMBL4932045 0.82 DPP7 (0.58) HTR7SIGMAR1
SCHEMBL9041083 0.81 KCNH2 (0.80) HTR7KCNH2DRD2SIGMAR1HTR1A
SCHEMBL5549334 0.81 MEN1 (0.68) KCNH2SIGMAR1CYP2D6
SCHEMBL9474438 0.81 HTR7 (0.55) HTR7KCNH2CHRNA7
Hydrochloric Acid SCHEMBL5753957 0.80 DPP7 (0.56) HTR7SIGMAR1
SCHEMBL8673780 0.80 POLB (0.59) SIGMAR1
SCHEMBL10733030 0.79 MAPT (0.67) HTR7HTR1ACYP2D6
Hydrochloric Acid SCHEMBL11093613 0.79 POLB (0.58) SIGMAR1

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-3201178-A1 ARYLALKYLPIPERAZINES FOR USE AS NEUROPROTECTIVE AGENTS University of Hertfordshire Higher Education Corporation (GB) 2017-08-09 EP disclosed
WO-2016051155-A1 ARYLALKYLPIPERAZINES FOR USE AS NEUROPROTECTIVE AGENTS UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2016-04-07 WO disclosed