SCHEMBL9562361

SCHEMBL9562361

FC(F)(F)c1ccc(/C=C/C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
HTR2C P28335 3/20 0.53
CYP1A2 P05177 1/20 0.46
HDAC3 O15379 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
AHR P35869 1/20 0.41
PTGS1 P23219 1/20 0.41
FBP1 P09467 1/20 0.40
NQO2 P16083 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL9562365 1.00 MAOB (0.55) MAOBHTR2CCYP1A2HDAC3ADAM17
Hydrochloric Acid SCHEMBL19994632 0.98 HTR2C (0.54) MAOBHTR2CCYP1A2HDAC3ADAM17
Hydrochloric Acid SCHEMBL19994635 0.98 HTR2C (0.54) MAOBHTR2CCYP1A2HDAC3ADAM17
Hydrochloric Acid SCHEMBL31556609 0.89 MAOB (0.48) MAOBHTR2CCYP1A2HDAC3ADAM17
Hydrochloric Acid SCHEMBL30836062 0.89 MAOB (0.48) MAOBHTR2CCYP1A2HDAC3ADAM17
SCHEMBL28339243 0.83 MAOB (0.57) MAOBCYP1A2HDAC3ADAM17HDAC1
SCHEMBL27401595 0.83 MAOB (0.50) MAOBCYP1A2HDAC3ADAM17HDAC1
SCHEMBL20015392 0.81 MAOB (0.58) MAOBHTR2CFBP1
SCHEMBL5213208 0.81 MAOB (0.51) MAOB
SCHEMBL6011005 0.80 EPHX1 (0.45) MAOBHTR2CHDAC1HDAC8HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059317-A1 YAP/TAZ-TEAD ONCOPROTEINS INHIBITORS BRIDGENE BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
WO-2018055096-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF LJUBLJANA (SI) 2018-03-29 WO disclosed
EP-1785415-A1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-16 EP disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 EP disclosed