SCHEMBL16255703

SCHEMBL16255703

COCCC(=O)N1CCN(c2ccc(C)cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.43
TACR1 P25103 2/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
POLB P06746 1/20 0.42
MC4R P32245 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
RBP4 P02753 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL16255704 0.87 KMT2A (0.52) KMT2AMEN1TSHRMAPTMC4R
SCHEMBL12141552 0.86 MTOR (0.47) MTORKMT2AMEN1MAPTDRD2
SCHEMBL7923613 0.85 MAPT (0.53) KMT2AMEN1TSHRMAPTMC4R
SCHEMBL16255781 0.84 TSHR (0.65) MTORKMT2AMEN1TSHRMAPT
SCHEMBL16255766 0.84 MTOR (0.48) MTORKMT2AMEN1TSHRMAPT
SCHEMBL7923612 0.82 KMT2A (0.44) MTORKMT2AMEN1TSHRMAPT
SCHEMBL10259980 0.80 ALDH1A1 (0.48) KMT2AMEN1TSHRMAPTPOLB
SCHEMBL16255671 0.78 MTOR (0.48) MTORKMT2AMEN1TSHRMAPT
SCHEMBL16255668 0.78 ALDH1A1 (0.46) MTORKMT2AMEN1TSHRMAPT
SCHEMBL16255767 0.77 ALDH1A1 (0.51) KMT2AMEN1TSHRMAPTALDH1A1

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