SCHEMBL30083142

SCHEMBL30083142

Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)N[C@H](C)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
SOS1 Q07889 1/20 0.41
MAPT P10636 2/20 0.41
PDK2 Q15119 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.41
KCNB1 Q14721 1/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 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
SCHEMBL30952660 0.92 LMNA (0.44) BACE1CTSSCTSKGPR119LMNA
SCHEMBL30083308 0.89 GPR119 (0.45) CTSSCTSKGPR119LMNAMEN1
SCHEMBL24731817 0.85 CYP1A2 (0.45) SMN1; SMN2CYP2C19TSHRALDH1A1KCNB1
SCHEMBL30083263 0.85 CYP1A2 (0.45) SMN1; SMN2CYP2C19TSHRALDH1A1KCNB1
SCHEMBL30083193 0.85 CTSS (0.49) CTSSCTSKMEN1KMT2ASMN1; SMN2
SCHEMBL30869192 0.84 ALDH1A1 (0.54) MAPTALDH1A1
SCHEMBL30083270 0.84 SMN1; SMN2 (0.46) CTSSCTSKGPR119LMNAMEN1
SCHEMBL30083171 0.83 RET (0.46) CTSSCTSKGPR119
SCHEMBL29783509 0.82
SCHEMBL27231778 0.82

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
EP-4305022-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-01-17 EP disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed