SCHEMBL30985174

SCHEMBL30985174

Nc1ccc(N2CCC3(CCN(C(=O)C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.49
GFER P55789 2/20 0.49
CASP6 P55212 1/20 0.49
CYP3A4 P08684 9/20 0.48
TSHR P16473 5/20 0.48
MAPK1 P28482 6/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 3/20 0.46
HIF1A Q16665 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL30984998 0.92 GFER (0.47) USP2GFERCASP6CYP3A4TSHR
SCHEMBL2450111 0.88 GFER (0.63) USP2GFERCASP6MAPK1ALDH1A1
SCHEMBL21855140 0.83 USP2 (0.56) USP2GFERCASP6CYP3A4TSHR
SCHEMBL2452376 0.82 GFER (0.56) USP2GFERCASP6MAPK1ALDH1A1
SCHEMBL23126615 0.82 CASP6 (0.73) USP2GFERCASP6CYP3A4TSHR
SCHEMBL30985057 0.81 POLB (0.51) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23126532 0.78 CYP3A4 (0.74) USP2GFERCASP6CYP3A4TSHR
SCHEMBL21946732 0.78 MAPK1 (0.54) USP2GFERCASP6CYP3A4TSHR
SCHEMBL21526546 0.78 GFER (0.67) USP2GFERCASP6CYP3A4TSHR
SCHEMBL7391980 0.77 GRM5 (0.36) GFERCASP6HIF1A

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed