SCHEMBL25620575

SCHEMBL25620575

CCCCCC(CC)NCc1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.42
NR3C2 P08235 3/20 0.42
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PGR P06401 2/20 0.35
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
LMNA P02545 2/20 0.34
KDM4C Q9H3R0 1/20 0.33
KCNH2 Q12809 2/20 0.32
PDE5A O76074 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9253139 0.80 ALDH1A1 (0.51) NR3C1NR3C2TAAR1NPC1RAB9A
SCHEMBL11922803 0.71 CHRM2 (0.47) TAAR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL11728106 0.71 LIPG (0.34) KDM4E
SCHEMBL6562301 0.70 TAAR1 (0.59) TAAR1ALDH1A1GAAMAPTTHRB
SCHEMBL5136256 0.70 CHRM2 (0.43) NR3C1NR3C2TAAR1ALDH1A1KDM4E
SCHEMBL18844905 0.69 TLR2 (0.49)
SCHEMBL20794423 0.69 TLR2 (0.49)
SCHEMBL7530042 0.69 NR3C1 (0.43) NR3C1NR3C2TAAR1ALDH1A1KDM4E
SCHEMBL6549903 0.69 TAAR1 (0.57) TAAR1ALDH1A1KDM4ELMNAGAA
SCHEMBL9699152 0.69 TAAR1 (0.57) TAAR1ALDH1A1KDM4ELMNAGAA

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
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed