SCHEMBL7490660

SCHEMBL7490660

NCCc1c2c(cc(-c3ccccc3)c1C(N)=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
PLA2G2A P14555 7/20 0.36
FLT3 P36888 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
LIMK1 P53667 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCAT2 O15382 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8196527 0.85 FLT3 (0.41) FLT3MAPT
SCHEMBL8253524 0.69 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL7484806 0.69 FLT3 (0.34) PLA2G2AFLT3ALDH1A1NPC1RAB9A
SCHEMBL7485079 0.68 LCK (0.36) PLA2G2AALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL7485063 0.68 PLA2G2A (0.33) PLA2G2A
SCHEMBL22014435 0.67 POLB (0.36) BACE1ALDH1A1BCAT2NPC1RAB9A
SCHEMBL8255374 0.66 MAPT (0.49) ALDH1A1MAPTLMNAKMT2A
SCHEMBL8249959 0.66 ALDH1A1 (0.44) FLT3ALDH1A1MAPTKDM4ENPC1
SCHEMBL16772616 0.65 MEN1 (0.64) BACE1SMN1; SMN2MEN1KMT2A
SCHEMBL6846138 0.65 BCAT2 (0.53) BACE1MAPTBCAT2TSHRPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed