SCHEMBL7808692

SCHEMBL7808692

CNC1CCN(CC(O)COc2ccc(F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CACNA1G O43497 3/20 0.57
KCNH2 Q12809 1/20 0.57
MAPT P10636 1/20 0.57
USP2 O75604 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
CYP2D6 P10635 2/20 0.55
CHRNA7 P36544 1/20 0.55
ABCB1 P08183 2/20 0.55
ATM Q13315 1/20 0.55
CYP2C19 P33261 1/20 0.53

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
Hydrochloric Acid SCHEMBL8055599 0.99 TSHR (0.73) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL7816999 0.83 TSHR (0.76) TSHRMEN1KMT2ACACNA1GKCNH2
Hydrochloric Acid SCHEMBL8043005 0.82 TSHR (0.74) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL7355066 0.82 CACNA1G (0.69) TSHRKMT2ACACNA1GKCNH2MAPT
SCHEMBL31510201 0.81 TSHR (0.73) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL8042975 0.81 TSHR (0.62) TSHRMEN1KMT2ACACNA1GMAPT
SCHEMBL16783982 0.80 TSHR (0.71) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL16783984 0.80 TSHR (0.71) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL16784014 0.80 TSHR (0.71) TSHRMEN1KMT2ACACNA1GKCNH2
SCHEMBL16784000 0.79 TSHR (0.70) TSHRMEN1KMT2ACACNA1GKCNH2

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-0842174-B1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PF MEDICAMENT (FR) 2001-10-04 EP disclosed
EP-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed