SCHEMBL25815151

SCHEMBL25815151

CCc1ccc(N2CCN(CC(C)C)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 1/20 0.42
KCNH2 Q12809 1/20 0.42
DRD2 P14416 3/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
DRD4 P21917 1/20 0.41
HTR1B P28222 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 5/20 0.41
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL18052715 0.85 ALDH1A1 (0.48) SMN1; SMN2PARP1KCNH2MAPTALDH1A1
SCHEMBL10268271 0.84 MAPT (0.41) KDM4ESMN1; SMN2PARP1KCNH2MAPT
SCHEMBL27358355 0.82 KDM4E (0.46) KDM4ESMN1; SMN2DRD2HTR1AADRA1D
SCHEMBL25815331 0.82 MAPT (0.48) KDM4ESMN1; SMN2DRD2HTR1AADRA1D
SCHEMBL1127846 0.81 MAPT (0.56) KDM4ESMN1; SMN2DRD2HTR1AADRA1D
SCHEMBL8427926 0.80 ALDH1A1 (0.49) KDM4ESMN1; SMN2PARP1KCNH2DRD2
SCHEMBL25815487 0.80 SLC6A2 (0.45) KDM4ESMN1; SMN2PARP1KCNH2ADRA1D
SCHEMBL8373055 0.80 MAPT (0.56) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL10264296 0.79 PARP1 (0.42) SMN1; SMN2PARP1KCNH2MAPTALDH1A1
SCHEMBL8430119 0.79 ALDH1A1 (0.57) SMN1; SMN2MAPTALDH1A1HPGDTSHR

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed