SCHEMBL30378754

SCHEMBL30378754

COc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
VCP P55072 1/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.48
LDHA P00338 1/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL19288664 1.00 TSHR (0.61) TSHRALDH1A1SMN1; SMN2VCPADRB1
SCHEMBL30564288 0.87 TSHR (0.55) TSHRALDH1A1SMN1; SMN2ADRB1DRD2
SCHEMBL1372927 0.85 KCNH2 (0.69) TSHRALDH1A1SMN1; SMN2ADRB1DRD2
SCHEMBL14528855 0.84 TSHR (0.63) TSHRALDH1A1SMN1; SMN2ADRB1DRD2
SCHEMBL24774008 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2VCPADRB1KCNH2
SCHEMBL328244 0.82 ADRA2C (0.71) ALDH1A1SMN1; SMN2VCPKDM4EL3MBTL1
SCHEMBL27711751 0.82 ADRB1 (0.68) TSHRALDH1A1SMN1; SMN2ADRB1DRD2
SCHEMBL2635187 0.81 VCP (0.58) ALDH1A1SMN1; SMN2VCPL3MBTL1
SCHEMBL28330181 0.80 L3MBTL1 (0.71) ALDH1A1VCPDRD2KDM4EL3MBTL1
SCHEMBL23657330 0.79 KCNH2 (0.61) TSHRALDH1A1SMN1; SMN2ADRB1DRD2

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-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed