SCHEMBL31641939

SCHEMBL31641939

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.45
▸ CHRM4 P08173 2/20 0.44
▸ PHGDH O43175 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRH2 P25021 3/20 0.41
▸ HRH1 P35367 3/20 0.41
▸ CCKAR P32238 1/20 0.41
▸ DHFR P00374 1/20 0.40

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
SCHEMBL31642103 1.00 MC4R (0.45) MC4RCHRM4PHGDHP2RX7LMNA
SCHEMBL31642119 0.91 CHRM4 (0.43) MC4RCHRM4PHGDHP2RX7LMNA
SCHEMBL31642411 0.91 CHRM4 (0.43) MC4RCHRM4PHGDHP2RX7LMNA
SCHEMBL31639064 0.88 ACACB (0.50) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31642022 0.88 L3MBTL1 (0.50) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31641997 0.88 L3MBTL1 (0.50) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31639149 0.88 ACACB (0.50) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31642848 0.85 CHRM4 (0.45) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31641450 0.85 CHRM4 (0.45) CHRM4PHGDHLMNASMN1; SMN2NOTUM
SCHEMBL31641784 0.79 NOTUM (0.48) CHRM4PHGDHLMNASMN1; SMN2NOTUM

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-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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