SCHEMBL7918576

SCHEMBL7918576

CC1=CCN(C(=O)CN2CCN(C)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.54
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 4/20 0.40
TERT O14746 1/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
NR1I3 Q14994 1/20 0.38
KDR P35968 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12286004 0.88 GAA (0.50) NAMPTKDM4EPARP1ALDH1A1MAPT
SCHEMBL16255724 0.84 TSHR (0.56) NAMPTCYP1A2ALOX15KDM4ETSHR
SCHEMBL12142032 0.82 NAMPT (0.49) NAMPTCYP1A2CYP2C19ALOX15TERT
SCHEMBL12139837 0.82 NAMPT (0.49) NAMPTCYP1A2CYP2C19ALOX15KDM4E
SCHEMBL7914538 0.77 BLM (0.41) NAMPTMEN1TSHRKMT2AALDH1A1
SCHEMBL2606198 0.77 MEN1 (0.40) NAMPTMEN1KMT2A
SCHEMBL23210827 0.75 CYP1A2 (0.46) NAMPTCYP1A2CYP2C19ALOX15TERT
SCHEMBL8916285 0.75 ALOX15 (0.51) NAMPTCYP1A2ALOX15KDM4EMEN1
SCHEMBL17888228 0.74 NAMPT (0.49) NAMPTCYP1A2MEN1KMT2AMAPT
SCHEMBL17888232 0.74 MEN1 (0.44) NAMPTMEN1TSHRKMT2AALDH1A1

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