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SCHEMBL8074467

SCHEMBL8074467

CCN(CC)CC(O)c1cccc2c(C)c(C(F)(F)C(F)(F)F)oc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MC4R P32245 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ RAD52 P43351 1/20 0.31

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
Hydrochloric Acid SCHEMBL8074484 0.99 CYP1A2 (0.35) CYP1A2CYP2D6MC4RTSHRNPY1R
SCHEMBL8081896 0.81 CYP1A2 (0.41) CYP1A2CYP2D6MC4RTSHRNPY1R
SCHEMBL8088062 0.81 CYP1A2 (0.41) CYP1A2CYP2D6MC4RTSHRNPY1R
SCHEMBL8081964 0.81 CYP1A2 (0.41) CYP1A2CYP2D6MC4RTSHRNPY1R
Hydrochloric Acid SCHEMBL8083177 0.80 CYP1A2 (0.40) CYP1A2CYP2D6MC4RTSHRNPY1R
Hydrochloric Acid SCHEMBL8083178 0.80 CYP1A2 (0.40) CYP1A2CYP2D6MC4RTSHRNPY1R
SCHEMBL8083188 0.74 KDM4E (0.43) CYP1A2CYP2D6TSHRALDH1A1
Hydrochloric Acid SCHEMBL8083185 0.73 KDM4E (0.42) CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL8083133 0.69 CYP2D6 (0.44) CYP1A2CYP2D6MC4RTSHRNPY1R
SCHEMBL8083165 0.69 LOXL2 (0.34) —

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-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 — — US disclosed