SCHEMBL8676302

SCHEMBL8676302

CC(c1ccccc1)(C(N)CCc1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 4/20 0.35
SLC6A2 P23975 3/20 0.35

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
SCHEMBL28615047 0.78 ANPEP (0.44) KDM4ELMNAMAPK1ANPEPERAP1
SCHEMBL7953179 0.77 ANPEP (0.47) KDM4ELMNAMAPK1ANPEPERAP1
SCHEMBL4714858 0.77 SLC6A2 (0.48) ANPEPERAP1ERAP2HTR2ASIGMAR1
SCHEMBL8409870 0.70 ANPEP (0.49) ANPEPERAP1ERAP2TSHR
Hydrochloric Acid SCHEMBL7836848 0.69 ANPEP (0.47) ANPEPERAP1ERAP2TSHR
SCHEMBL6112090 0.69 ANPEP (0.41) KDM4ELMNAMAPK1ANPEPERAP1
SCHEMBL28619892 0.68 GRIK1 (0.44) ANPEPERAP1ERAP2HTR2AIDO1
SCHEMBL7465282 0.67 CES1 (0.46) ANPEPERAP1ERAP2TSHR
SCHEMBL2124923 0.67 TSHR (0.48) KDM4ECYP1A2TSHRCYP2C19
SCHEMBL894528 0.67 SLC6A2 (0.60) ANPEPERAP1ERAP2HTR2ASIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10330331-A None JP disclosed
JP-H10330331-A PRODUCTION OF DEXFENFLURAMINE HYDROCHLORIDE PIEFETI IT SRL 1998-12-15 JP disclosed