SCHEMBL31389997

SCHEMBL31389997

OC1CC(c2c(F)cccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ABCB1 P08183 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 1/20 0.33
CHRNA7 P36544 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL28255707 0.80 ABCB1 (0.51) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL28668021 0.80 ABCB1 (0.51) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL31389850 0.76 KDM1A (0.50) CHRNB2CHRNA4HTR2CHTR2BKDM1A
SCHEMBL10994234 0.75 ABCB1 (0.60) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL26836233 0.75 CHRNB2 (0.47) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL1334062 0.72 HTR2A (0.45) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL1334060 0.72 HTR2A (0.45) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL24685527 0.71 ABCB1 (0.56) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL27569086 0.71 ABCB1 (0.61) CHRNB2CHRNA4HTR2CHTR2BABCB1
SCHEMBL31389702 0.71

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed