SCHEMBL16655922

SCHEMBL16655922

CC/C(C(N)=O)=C(\c1ccccc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 4/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRD1 P41143 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 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
SCHEMBL16655925 0.79 KMT2A (0.39) SLC6A4SLC6A2SLC6A3KCNH2MEN1
SCHEMBL8326384 0.73 GBA1 (0.42) SLC6A4SLC6A2SLC6A3KCNH2MEN1
SCHEMBL16655739 0.73 SIGMAR1 (0.53) SLC6A4KMT2AOPRD1TSHROPRM1
SCHEMBL408318 0.71 KMT2A (0.66) MEN1CYP2D6KMT2AGABRPGABRD
SCHEMBL27615711 0.71 ELANE (0.47) SLC6A4SLC6A3MEN1CYP2D6KMT2A
SCHEMBL818792 0.70 GBA1 (0.39) SLC6A4SLC6A2SLC6A3KCNH2MEN1
Bromide SCHEMBL10968790 0.70 KMT2A (0.64) MEN1CYP2D6KMT2AGABRPGABRD
SCHEMBL27654505 0.70 CES2 (0.47) TSHRPMP22CES2CES1
SCHEMBL14677357 0.70 CES1 (0.47) MEN1KMT2ATSHRPMP22CES2
Hydrochloric Acid SCHEMBL227939 0.70 KMT2A (0.69) MEN1CYP2D6KMT2AGABRPGABRD

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