SCHEMBL30935670

SCHEMBL30935670

O=C(C1CCC(F)(F)CC1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 4/20 0.40
NAMPT P43490 3/20 0.36
GRM5 P41594 4/20 0.35
WNT1 P04628 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CNR2 P34972 1/20 0.32
TBXAS1 P24557 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL4038928 0.84 HTR2A (0.44) HTR2AHTR2CHTR2BTBXAS1MAPT
SCHEMBL4149577 0.81 TSHR (0.41) HTR2AHTR2CHTR2BTBXAS1HSD11B1
SCHEMBL3955274 0.81 HTR2A (0.38) HTR2AHTR2CHTR2BTBXAS1HSD11B1
SCHEMBL1082963 0.80 MAPK1 (0.37) MAPT
SCHEMBL24656220 0.80 TSHR (0.44) HTR2AHTR2CHTR2BTBXAS1HSD11B1
SCHEMBL24656071 0.80 TSHR (0.44) HTR2AHTR2CHTR2BTBXAS1HSD11B1
SCHEMBL23435085 0.78 CD38 (0.52) CD38NAMPTWNT1DYRK1AHSD11B1
SCHEMBL14875386 0.77 TBXAS1 (0.43) CD38NAMPTTBXAS1
SCHEMBL7883953 0.75 MAPK1 (0.31) HTR2AHTR2CHTR2BMAPT
SCHEMBL28194248 0.74 FAAH (0.39) HTR2AHTR2CHTR2B

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-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed