SCHEMBL16255668

SCHEMBL16255668

CC(=O)N1CCN(CC(=O)N2CCN(c3ccc(C)cc3C(F)(F)F)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
MTOR P42345 2/20 0.41
CCR1 P32246 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16255671 0.91 MTOR (0.48) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL10259980 0.89 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16255767 0.88 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL12141708 0.87 EPHX2 (0.42) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL12139605 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL16255781 0.83 TSHR (0.65) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16255704 0.81 KMT2A (0.52) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL27449929 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL7923613 0.79 MAPT (0.53) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16255703 0.78 MTOR (0.48) ALDH1A1LMNAMEN1KMT2ATSHR

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-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed