SCHEMBL21187141

SCHEMBL21187141

COc1ccc(C2CCC(NC(=N)Nc3ccc(Cl)cc3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 16/20 0.52
FPR2 P25090 10/20 0.52
EPHX2 P34913 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21187149 0.82 NPC1 (0.46) EPHX2MAPTMEN1KMT2ANPC1
SCHEMBL21187199 0.82 FPR1 (0.47) FPR1FPR2EPHX2MAPTMEN1
SCHEMBL21397268 0.81 FPR1 (0.45) FPR1FPR2
SCHEMBL21187146 0.80 SMN1; SMN2 (0.41) FPR1FPR2EPHX2MAPTMEN1
SCHEMBL17731105 0.78 EPHX2 (0.55) FPR1FPR2EPHX2MAPTMEN1
SCHEMBL21187132 0.75 MAOA (0.48) FPR1FPR2EPHX2MAPTKMT2A
SCHEMBL21397282 0.73 MAPT (0.58) FPR1FPR2EPHX2MAPTMEN1
SCHEMBL21187195 0.72 NPC1 (0.51) EPHX2MAPTMEN1KMT2ANPC1
SCHEMBL21187119 0.72 NPC1 (0.51) EPHX2MAPTMEN1KMT2ANPC1
SCHEMBL28710780 0.71 FFAR1 (0.38) FPR1FPR2MEN1KMT2A

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-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed