SCHEMBL16255671

SCHEMBL16255671

Cc1ccc(N2CCN(C(=O)CN3CCN(C)CC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALPL P05186 1/20 0.41
PTBP1 P26599 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL16255668 0.91 ALDH1A1 (0.46) MTORCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL16255767 0.88 ALDH1A1 (0.51) KDM4ECYP1A2ALDH1A1LMNAMEN1
SCHEMBL12139602 0.87 MTOR (0.46) MTORALDH1A1MEN1KMT2AMAPT
SCHEMBL12141554 0.87 MTOR (0.46) MTORALDH1A1LMNAMEN1KMT2A
SCHEMBL16255699 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMEN1TSHRKMT2A
SCHEMBL16255781 0.83 TSHR (0.65) MTORCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL12017807 0.83 ADRB2 (0.55) MTORALDH1A1MAPTPDE3BPDE3A
SCHEMBL16255704 0.81 KMT2A (0.52) CYP1A2CYP2C19ALDH1A1LMNAMEN1
SCHEMBL27449929 0.80 ALDH1A1 (0.41) KDM4EALDH1A1LMNAMEN1TSHR
SCHEMBL7923613 0.79 MAPT (0.53) ALDH1A1LMNAMEN1TSHRKMT2A

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