SCHEMBL31045848

SCHEMBL31045848

C[C@H]1CNCCN1c1cc(F)ncn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.40
GSK3B P49841 4/20 0.40
HTR2A P28223 4/20 0.39
HTR2B P41595 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
ROCK2 O75116 1/20 0.38
KCNH2 Q12809 2/20 0.38
LATS1 O95835 1/20 0.36
MET P08581 1/20 0.36
ALK Q9UM73 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
SCHEMBL17884822 0.82 MMP2 (0.42) HTR2CGSK3BHTR2AHTR2BPIM1
SCHEMBL21098425 0.80 CYP2C19 (0.47) HTR2CGSK3BHTR2AHTR2BPIM1
SCHEMBL26669762 0.80 CYP2C19 (0.47) HTR2CGSK3BHTR2AHTR2BPIM1
SCHEMBL21098430 0.80 CYP2C19 (0.47) HTR2CGSK3BHTR2AHTR2BPIM1
Hydrochloric Acid SCHEMBL30619116 0.79 CYP2C19 (0.46) HTR2CGSK3BHTR2AHTR2BPIM1
SCHEMBL31087059 0.79 CYP2D6 (0.47) HTR2CHTR2AHTR2B
SCHEMBL17623269 0.76 HTR2C (0.36) HTR2CGSK3BHTR2AHTR2BCYP1A2
SCHEMBL27103013 0.75 RAD52 (0.44) HTR2CGSK3BHTR2AHTR2BCYP1A2
Hydrochloric Acid SCHEMBL22836914 0.74 RAD52 (0.46) HTR2CGSK3BHTR2AHTR2BCYP1A2
Hydrochloric Acid SCHEMBL30062597 0.74 RAD52 (0.46) HTR2CGSK3BHTR2AHTR2BCYP1A2

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-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed