SCHEMBL8162240

SCHEMBL8162240

CC(C)(C)OC(=O)OC(=O)C1(Cc2cccc(OC(F)(F)F)c2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AMPD2 Q01433 1/20 0.38
LMNA P02545 1/20 0.38
CHRM3 P20309 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
SLC6A2 P23975 3/20 0.36
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL7840218 0.84 TACR1 (0.48) TACR1MEN1KMT2AALDH1A1MAPT
SCHEMBL7841113 0.78 TYRO3 (0.37) ALDH1A1DRD2DRD4
SCHEMBL7838476 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8162238 0.75 TACR1 (0.46) TACR1MEN1KMT2AALDH1A1MAPT
SCHEMBL1222020 0.72 TACR1 (0.54) TACR1FFAR4LMNACHRM3SLC6A2
SCHEMBL12586089 0.72 TACR1 (0.56) TACR1FFAR4CHRM3SLC6A2CHRM2
Hydrochloric Acid SCHEMBL7842574 0.72 TACR1 (0.53) TACR1FFAR4LMNACHRM3SLC6A2
SCHEMBL7831549 0.71 LMNA (0.50) TACR1MEN1KMT2AALDH1A1AMPD2
SCHEMBL27772416 0.69 VNN1 (0.50) AMPD2CHRM3CHRM2CHRM1MAPK14
SCHEMBL7840409 0.68 SSTR4 (0.42) MEN1KMT2AALDH1A1LMNAL3MBTL1

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-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed