SCHEMBL22306015

SCHEMBL22306015

CCN1CCN(CCN2CCC(CNC(=O)C(C)C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
EPHX2 P34913 3/20 0.48
CACNA1I Q9P0X4 6/20 0.40
KCNH2 Q12809 4/20 0.40
HTR4 Q13639 3/20 0.40
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 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
SCHEMBL25089654 0.94 EPHX1 (0.46) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL22169792 0.94 EPHX1 (0.52) EPHX1EPHX2CACNA1IKCNH2KDM4E
SCHEMBL24865985 0.90 EPHX1 (0.41) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL26330243 0.87 HTR4 (0.41) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL25089651 0.87 HSD11B1 (0.45) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL16771662 0.85 TP53 (0.46) EPHX1EPHX2CACNA1IKCNH2KDM4E
SCHEMBL22302358 0.83 EPHX1 (0.51) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL22302357 0.82 HTR4 (0.43) EPHX1EPHX2CACNA1IKCNH2HTR4
SCHEMBL9891801 0.81 MAPT (0.44) EPHX1EPHX2DPP4PREPFAP
SCHEMBL25089683 0.77 HTR4 (0.41) EPHX1EPHX2CACNA1IKCNH2HTR4

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
WO-2020160196-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed