SCHEMBL24335832

SCHEMBL24335832

O=C(N(CCO)C[C@@H]1CCCCN1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.40
▸ HTR5A P47898 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ CYP2D6 P10635 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GHSR Q92847 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MLNR O43193 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34

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
SCHEMBL9910748 0.76 GHSR (0.49) HTR5ASLC2A1GHSR
SCHEMBL14539452 0.72 GHSR (0.59) HTR5ASLC2A1GHSR
SCHEMBL9875342 0.70 FDPS (0.40) FDPSCYP2D6LMNAGHSRCYP1A2
SCHEMBL9874777 0.70 FDPS (0.40) FDPSCYP2D6LMNAGHSRCYP1A2
SCHEMBL1177268 0.70 MAPT (0.35) KCNH2MAPT
SCHEMBL9875371 0.68 CYP2D6 (0.48) FDPSCYP2D6LMNAGHSRCYP1A2
SCHEMBL18360656 0.65 FDPS (0.34) FDPSGHSR
Trifluoroacetic Acid SCHEMBL27663777 0.65 CHRNB2 (0.41) FDPSLMNAMEN1TP53KMT2A
SCHEMBL25562847 0.65 FDPS (0.34) FDPSGHSR
SCHEMBL27476797 0.65 FDPS (0.52) FDPSCYP2D6LMNAGHSRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022064187-A1 COMPOUNDS AS MODULATORS OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 1 (ERAP1) Grey Wolf Therapeutics Limited (GB) 2022-03-31 — — WO disclosed
Send feedback