SCHEMBL8316992

SCHEMBL8316992

Fc1ccc(-c2ccccc2C=C2CCN(CCCCl)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
MC4R P32245 4/20 0.39
KCNH2 Q12809 1/20 0.38
HTR5A P47898 1/20 0.38
HTR7 P34969 3/20 0.37
ALDH1A1 P00352 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTT P42858 2/20 0.37
HTR1A P08908 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CNR1 P21554 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8316880 0.89 HRH3 (0.39) HRH3HTR7DRD2DRD3HTR1A
SCHEMBL8316497 0.87 MC4R (0.39) HRH3MC4RKCNH2ALDH1A1DRD2
SCHEMBL8312305 0.85 MC4R (0.39) HRH3MC4RKCNH2ALDH1A1CNR1
SCHEMBL8316861 0.85 HRH3 (0.48) HRH3KCNH2HTR7HTR1A
SCHEMBL8317603 0.83 HRH3 (0.40) HRH3DRD3
SCHEMBL8314770 0.81 CHRM1 (0.40) HRH3KCNH2HTR7HTR1AHRH1
SCHEMBL8315438 0.80 KCNH2 (0.43) HRH3KCNH2DRD2DRD3DRD4
SCHEMBL11037164 0.79 KDM4E (0.43) KCNH2HTR7ALDH1A1DRD3HTT
SCHEMBL11036104 0.78 KDM4E (0.41) HTR7ALDH1A1DRD2DRD3HTT
SCHEMBL8312632 0.78 ABCB1 (0.47) HRH3KCNH2HTR7ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed