SCHEMBL22926299

SCHEMBL22926299

C=C(N1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)cc2F)CC1)C1(O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ CPS1 P31327 2/20 0.38
▸ FASN P49327 2/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ HTT P42858 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 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
SCHEMBL17389928 0.88 FASN (0.49) MAPTRXFP1CPS1FASNHTT
SCHEMBL16150924 0.83 RXFP1 (0.44) MAPTRXFP1CPS1FASNGBA1
SCHEMBL16149873 0.80 RXFP1 (0.40) MAPTRXFP1CPS1FASNGBA1
Hydrochloric Acid SCHEMBL17389942 0.79 RXFP1 (0.43) MAPTRXFP1CPS1
SCHEMBL28497720 0.79 CPS1 (0.39) MAPTRXFP1CPS1FASNGBA1
SCHEMBL16150156 0.76 MAPT (0.36) MAPTRXFP1CPS1FASNHTT
SCHEMBL16150679 0.73 FASN (0.64) MAPTRXFP1FASNHTTKDM4E
SCHEMBL23641648 0.73 RXFP1 (0.45) MAPTRXFP1FASNTP53
SCHEMBL22926218 0.71 FASN (0.51) MAPTRXFP1FASNTSHRALDH1A1
SCHEMBL22926335 0.69 SMN1; SMN2 (0.42) MAPTRXFP1TSHRTP53KDM4E

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
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
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