SCHEMBL30135908

SCHEMBL30135908

CCCCOC(=O)N1CC2(CCN(c3ncc(Br)cn3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.42
CYP2D6 P10635 5/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP2 O75604 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL30376350 0.90 LMNA (0.39) HSD17B10CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL30135848 0.84 LMNA (0.39) HSD17B10CYP2D6TSHRCYP3A4SMN1; SMN2
SCHEMBL22720703 0.79 CYP11B2 (0.49) HSD17B10CYP2D6TSHRCYP3A4GPR119
SCHEMBL30136007 0.79 CRBN (0.48) HSD17B10CYP2D6TSHRCYP3A4POLB
SCHEMBL1448938 0.74 GPR119 (0.41) HSD17B10SMN1; SMN2LMNAPOLBOPRD1
SCHEMBL18153221 0.73 CHRM1 (0.45) LMNAALDH1A1CYP2C9GPR119
SCHEMBL30297575 0.73 CYP3A4 (0.62) HSD17B10CYP2D6TSHRCYP3A4SMN1; SMN2
SCHEMBL6986404 0.73 POLB (0.48) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL1282238 0.72 OPRM1 (0.39) HSD17B10OPRD1OPRK1PANK3
SCHEMBL31580280 0.72 RAB9A (0.33) HSD17B10CYP2D6TSHRCYP3A4SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed