SCHEMBL8335268

SCHEMBL8335268

C=CCC(O)(CNC(C)C)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.43
ADRB1 P08588 5/20 0.43
CYP2D6 P10635 4/20 0.43
ADRB3 P13945 2/20 0.43
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
HTR1A P08908 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
SLC22A1 O15245 1/20 0.38
HTR2A P28223 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL21363141 0.76 LMNA (0.46) KDM4EALDH1A1LMNACYP1A2MAPT
SCHEMBL10516249 0.73 MAPT (0.49) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL18663141 0.72 KDM4E (0.42) KDM4ETDP1ALDH1A1LMNACYP1A2
SCHEMBL31349926 0.70 LMNA (0.48) ADRB2ADRB1CYP2D6ADRB3ALDH1A1
SCHEMBL21363140 0.68 TDP1 (0.41) TDP1ALDH1A1LMNACYP1A2SLC6A2
SCHEMBL23963353 0.67 ADRB2 (0.57) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL10703868 0.66 THRB (0.41) CYP2D6KDM4EALDH1A1LMNAMAPT
SCHEMBL11524082 0.66 KMT2A (0.40) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL7897828 0.66 SIGMAR1 (0.67) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL7868616 0.65 ADRB2 (0.58) ADRB2ADRB1CYP2D6ADRB3LMNA

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
US-5958429-A TREATING DEPRESSION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed