SCHEMBL31639064

SCHEMBL31639064

CC[C@H](NC(C)=O)C(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.50
▸ CHRM4 P08173 2/20 0.47
▸ PHGDH O43175 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31639149 1.00 ACACB (0.50) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31642848 0.93 CHRM4 (0.45) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31641450 0.93 CHRM4 (0.45) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31639061 0.90 ACACB (0.49) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31639032 0.90 ACACB (0.49) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31642103 0.88 MC4R (0.45) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31641939 0.88 MC4R (0.45) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31638941 0.86 ACACB (0.55) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31639157 0.86 ACACB (0.55) ACACBCHRM4PHGDHLMNASMN1; SMN2
SCHEMBL31642614 0.85 LMNA (0.59) LMNASMN1; SMN2TSHRNPSR1HSD17B10

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
WO-2025136133-A1 PHENYLPIPERAZINAMIDE DERIVATIVES MODIFIED WITH ALIPHATIC AMINO ACID FRAGMENTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES Uniwersytet Jagielloński (PL) 2025-06-26 — — WO claimed
WO-2025136133-A1 PHENYLPIPERAZINAMIDE DERIVATIVES MODIFIED WITH ALIPHATIC AMINO ACID FRAGMENTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES Uniwersytet Jagielloński (PL) 2025-06-26 — — WO disclosed
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