SCHEMBL29891721

SCHEMBL29891721

[2H][C@@H]1CCN[C@H](c2cccc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
MEN1 O00255 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA1 P00915 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 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
SCHEMBL433220 0.87 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL3503155 0.87 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL166716 0.87 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL29450150 0.87 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL433482 0.85 MEN1 (0.54) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
Hydrochloric Acid SCHEMBL450686 0.85 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
Hydrochloric Acid SCHEMBL450685 0.85 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL21523837 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CYP2D6CA1HTR2A
SCHEMBL432589 0.81 CA1 (0.39) CHRNB2CHRNA7CHRNA4MEN1CYP2D6
SCHEMBL30142149 0.80 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4MEN1CYP2D6

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-4313295-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) Almac Discovery Limited (GB) 2024-02-07 EP disclosed
WO-2022200523-A1 PHARMACEUTICALS COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2022-09-29 WO disclosed