SCHEMBL9532091

SCHEMBL9532091

CCCCCN1CCCC(CCOc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 1/20 0.43
MAOB P27338 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL9698943 0.90 DRD2 (0.51) HRH3DRD2DRD3LTA4HMAOB
Hydrochloric Acid SCHEMBL9528697 0.89 DRD2 (0.50) HRH3DRD2DRD3LTA4HMAOB
SCHEMBL7323189 0.89 HRH3 (0.57) HRH3DRD2LTA4HALDH1A1TSHR
Hydrochloric Acid SCHEMBL7319312 0.88 HRH3 (0.56) HRH3DRD2LTA4HALDH1A1TSHR
SCHEMBL10690668 0.85 HRH3 (0.53) HRH3LTA4HALDH1A1KMT2AKDM4E
Oxalic Acid SCHEMBL10692238 0.81 KDM4E (0.55) HRH3ALDH1A1KMT2AKDM4ELMNA
SCHEMBL9698304 0.81 HRH3 (0.45) HRH3DRD2DRD3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27351881 0.80 HRH3 (0.44) HRH3DRD2DRD3ALDH1A1TSHR
Oxalic Acid SCHEMBL6987238 0.79 KDM4E (0.49) HRH3ALDH1A1KMT2AKDM4ELMNA
Oxalic Acid SCHEMBL6990511 0.79 KDM4E (0.49) HRH3ALDH1A1KMT2AKDM4ELMNA

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-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed