SCHEMBL31641784

SCHEMBL31641784

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ CCKAR P32238 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ SLC6A7 Q99884 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL31641775 1.00 NOTUM (0.48) NOTUMCHRM4LMNAMAPK1TSHR
SCHEMBL31641502 0.89 POLB (0.50) NOTUMCHRM4MAPK1TSHRNPSR1
SCHEMBL31642063 0.89 POLB (0.50) NOTUMCHRM4MAPK1TSHRNPSR1
SCHEMBL31641717 0.87 NOTUM (0.51) NOTUMCHRM4MAPK1PHGDHDHFR
SCHEMBL31641819 0.87 NOTUM (0.51) NOTUMCHRM4MAPK1PHGDHDHFR
SCHEMBL31639149 0.83 ACACB (0.50) NOTUMCHRM4LMNAMAPK1TSHR
SCHEMBL31639064 0.83 ACACB (0.50) NOTUMCHRM4LMNAMAPK1TSHR
SCHEMBL31642848 0.80 CHRM4 (0.45) NOTUMCHRM4LMNAMAPK1TSHR
SCHEMBL31641450 0.80 CHRM4 (0.45) NOTUMCHRM4LMNAMAPK1TSHR
SCHEMBL31642512 0.80 POLB (0.52) NOTUMCHRM4LMNATSHRPHGDH

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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