SCHEMBL26892136

SCHEMBL26892136

CCCN(CCCN)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
F2 P00734 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28026405 0.89 LMNA (0.55) LMNATDP1TSHRF2CYP2D6
SCHEMBL19749129 0.87 ADRA2C (0.48) ADRA2CLMNATDP1TSHRF2
SCHEMBL11850307 0.86 LMNA (0.51) LMNATDP1TSHRF2CYP2D6
SCHEMBL27851129 0.84 LMNA (0.50) LMNATDP1TSHRF2CES2
SCHEMBL28429762 0.83 CES2 (0.49) LMNATDP1TSHRCES2CES1
Hydrochloric Acid SCHEMBL9134016 0.78 LMNA (0.44) LMNATDP1TSHRCYP2D6CYP1A2
SCHEMBL4410632 0.78 KMT2A (0.44) LMNATSHRSMN1; SMN2
SCHEMBL21559897 0.76 TSHR (0.42) ADRA2CLMNATDP1TSHRF2
SCHEMBL1730081 0.76 LMNA (0.53) LMNATDP1TSHRF2CYP2D6
SCHEMBL5678485 0.74 LMNA (0.53) LMNATDP1TSHRF2CYP2D6

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-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed