SCHEMBL5043043

SCHEMBL5043043

CC(CCc1cccnc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.63
KCNH2 Q12809 3/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.45
BCHE P06276 1/20 0.44
VNN1 O95497 1/20 0.44
TBXAS1 P24557 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 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
SCHEMBL14731813 0.84 TMEM97 (0.86) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL5042778 0.80 TMEM97 (0.63) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731886 0.79 TMEM97 (0.77) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731807 0.79 TMEM97 (0.77) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL19361170 0.79 TMEM97 (0.67) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731804 0.78 TMEM97 (1.00) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731805 0.78 TMEM97 (1.00) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731907 0.76 MEN1 (0.76) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL5042774 0.75 TMEM97 (0.57) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731808 0.75 TMEM97 (0.71) TMEM97KCNH2MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed