SCHEMBL11065058

SCHEMBL11065058

CCN1CCC(Oc2cccc3c(F)cccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ENPP2 Q13822 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR1A P08908 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37

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
Hydrochloric Acid SCHEMBL11065793 0.99 HRH3 (0.44) HRH3KDM4ESMN1; SMN2ENPP2DRD2
SCHEMBL6926846 0.77 L3MBTL1 (0.47) HRH3KDM4E
SCHEMBL11065075 0.76 SLC6A4 (0.49) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL10058617 0.75 PDE3B (0.48) HRH3DRD2DRD4SLC6A4
SCHEMBL11069093 0.75 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4CHRM3HTR1A
Hydrochloric Acid SCHEMBL11068846 0.74 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4CHRM3HTR1A
SCHEMBL11068301 0.73 MEN1 (0.54) HRH3DRD2HTR1AHTR2C
SCHEMBL12126004 0.72 SCD (0.46) HRH3KDM4EHTR2CHTR2B
Hydrochloric Acid SCHEMBL10964879 0.72 HRH3 (0.66) HRH3SMN1; SMN2HTR7
SCHEMBL20176375 0.71 SLC6A4 (0.55) KDM4EDRD4SLC6A2SLC6A3SLC6A4

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
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed