SCHEMBL31119841

SCHEMBL31119841

O=C(NCCCC(c1ccccc1)c1ccccc1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.52
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
EPHX2 P34913 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
NAMPT P43490 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL12329232 0.90 SOS1 (0.51) SOS1GNAI3GNAO1GNAI1DRD2
SCHEMBL12420662 0.81 MTNR1A (0.56) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL4034002 0.77 CYP2C19 (0.60) EPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL7569582 0.76 EPHX2 (0.64) DRD2DRD3EPHX2SMN1; SMN2RAB9A
SCHEMBL1808557 0.76 SOS1 (0.82) SOS1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8641864 0.74 SMN1; SMN2 (0.63) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2
SCHEMBL31505725 0.74 HTR2A (0.58) EPHX2MTNR1AMTNR1BHTR2AHRH1
SCHEMBL17842262 0.74 RAB9A (0.75) EPHX2SMN1; SMN2NPC1PKMRAB9A
SCHEMBL526330 0.74 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTR2ACHRM1CHRM3
SCHEMBL20674229 0.74 LMNA (0.73) SOS1LMNA

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
CN-118666837-A GPX4 protein degradation agent, preparation method and application thereof 首都医科大学 2024-09-20 CN disclosed