SCHEMBL6544914

SCHEMBL6544914

C[CH]c1cccc(C(=O)CN2Cc3cc(OCC)c(OCC)c(F)c3C2=N)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.54
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 3/20 0.32
HTT P42858 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP1B1 Q16678 1/20 0.31
LMNA P02545 2/20 0.30

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
Bromide SCHEMBL1732738 0.85 F2R (0.60) F2RMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL28740926 0.83 F2R (0.56) F2RMAPTSMN1; SMN2KDM4ERAB9A
Bromide SCHEMBL1731325 0.83 F2R (0.56) F2RMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL1729167 0.82 F2R (0.56) F2RMAPTSMN1; SMN2KDM4ERAB9A
Bromide SCHEMBL5484965 0.81 F2R (0.57) F2RMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL27506514 0.81 F2R (0.50) F2RMAPTSMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL1730995 0.81 F2R (0.53) F2RMAPTSMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL1730997 0.81 F2R (0.53) F2RMAPTSMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL1729405 0.81 F2R (0.51) F2RMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL27507748 0.81 F2R (0.51) F2RMAPTSMN1; SMN2KDM4ERAB9A

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-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed