SCHEMBL16655925

SCHEMBL16655925

CCC(=C(C(N)=O)c1ccccc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRD1 P41143 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL16655922 0.79 SLC6A4 (0.41) KMT2AMEN1CYP2D6OPRD1SMYD3
SCHEMBL818792 0.78 GBA1 (0.39) KMT2AMEN1CYP2D6OPRD1SMYD3
SCHEMBL8326384 0.72 GBA1 (0.42) KMT2AMEN1CYP2D6OPRD1SMYD3
SCHEMBL16655743 0.72 SIGMAR1 (0.53) KMT2AOPRD1SLC6A4TSHROPRM1
SCHEMBL408318 0.70 KMT2A (0.66) KMT2AMEN1CYP2D6GABRPGABRD
SCHEMBL817589 0.70 KMT2A (0.37) KMT2ASMYD3SLC6A4KCNH2SLC6A2
Hydrochloric Acid SCHEMBL227939 0.69 KMT2A (0.69) KMT2AMEN1CYP2D6GABRPGABRD
Bromide SCHEMBL10968790 0.69 KMT2A (0.64) KMT2AMEN1CYP2D6GABRPGABRD
SCHEMBL14677357 0.69 CES1 (0.47) KMT2AMEN1TSHRPMP22ALDH1A1
SCHEMBL14677362 0.69 CES1 (0.47) KMT2AMEN1TSHRPMP22ALDH1A1

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed