SCHEMBL18322980

SCHEMBL18322980

O=CCCN1CCC(Oc2ccc(-c3cnc4ccccc4c3Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
HTR2A P28223 4/20 0.39
HTR7 P34969 4/20 0.39
KCNH2 Q12809 3/20 0.38
ADRA1A P35348 2/20 0.38
HTR1A P08908 3/20 0.38
ACHE P22303 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
HTR6 P50406 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL18322921 0.86 HRH3 (0.42) HRH3HTR2AHTR7KCNH2ADRA1A
SCHEMBL18322841 0.86 HRH3 (0.42) HRH3HTR2AHTR7KCNH2ADRA1A
SCHEMBL18322930 0.84 SSTR2 (0.43) HRH3HTR2AHTR7KCNH2ADRA1A
SCHEMBL18322893 0.84 SSTR2 (0.41) HRH3HTR2AHTR7KCNH2ADRA1A
SCHEMBL18322895 0.80 HRH3 (0.40) HRH3HTR2AHTR7KCNH2ADRA1A
SCHEMBL18318221 0.79 MAPT (0.46)
SCHEMBL18322938 0.79 CHRNB1 (0.43) HRH3KCNH2ADRA1ACARM1PRMT6
SCHEMBL18318308 0.79 PIK3CD (0.44)
SCHEMBL18318488 0.78 NAMPT (0.46) HRH3KCNH2ADRA1A
SCHEMBL18322951 0.77 PRKCZ (0.42) HRH3HTR2AHTR7KCNH2HTR1A

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-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed