SCHEMBL24865985

SCHEMBL24865985

CC(C)C(=O)NCC1CCN(CCN2CCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
EPHX2 P34913 3/20 0.41
HTR4 Q13639 4/20 0.41
HTR3A P46098 3/20 0.41
CACNA1I Q9P0X4 7/20 0.39
KCNH2 Q12809 6/20 0.39
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 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
SCHEMBL22306015 0.90 EPHX1 (0.48) EPHX1EPHX2HTR4HTR3ACACNA1I
SCHEMBL9891801 0.89 MAPT (0.44) EPHX1EPHX2DPP4PREPFAP
SCHEMBL26330243 0.88 HTR4 (0.41) EPHX1EPHX2HTR4HTR3ACACNA1I
SCHEMBL25089654 0.84 EPHX1 (0.46) EPHX1EPHX2HTR4CACNA1IKCNH2
SCHEMBL22302357 0.83 HTR4 (0.43) EPHX1EPHX2HTR4CACNA1IKCNH2
SCHEMBL22169792 0.83 EPHX1 (0.52) EPHX1EPHX2CACNA1IKCNH2DPP4
SCHEMBL12413662 0.81 DRD2 (0.43) EPHX1EPHX2DPP4PREPFAP
SCHEMBL24866005 0.78 USP2 (0.39) EPHX1EPHX2HTR4DPP4PREP
SCHEMBL25089683 0.78 HTR4 (0.41) EPHX1EPHX2HTR4CACNA1IKCNH2
SCHEMBL1107035 0.78 TDP1 (0.52) EPHX1EPHX2DPP4PREPFAP

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
WO-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed