SCHEMBL7923613

SCHEMBL7923613

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MC4R P32245 2/20 0.43
AR P10275 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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 0.93 KMT2A (0.52) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16255781 0.88 TSHR (0.65) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL7923612 0.87 KMT2A (0.44) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL12141090 0.87 MAPT (0.52) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL12139634 0.86 MAPT (0.51) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16255703 0.85 MTOR (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16255766 0.85 MTOR (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL10259980 0.81 ALDH1A1 (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL14765582 0.80 NPC1 (0.52) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9565826 0.80 LMNA (0.55) MAPTLMNAALDH1A1KMT2AMEN1

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
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO disclosed