SCHEMBL21187199

SCHEMBL21187199

COc1ccc(C2CCC(NC(=N)Nc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 10/20 0.47
FPR2 P25090 10/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LHCGR P22888 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21187132 0.88 MAOA (0.48) FPR1FPR2NPC1RAB9AEPHX1
SCHEMBL21187195 0.88 NPC1 (0.51) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL21187119 0.88 NPC1 (0.51) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL21187113 0.83 IDO1 (0.55) FPR1FPR2NPC1RAB9AEPHX1
SCHEMBL21187085 0.83 IDO1 (0.55) FPR1FPR2NPC1RAB9AEPHX1
SCHEMBL21187217 0.83 MEN1 (0.43) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL21187146 0.83 SMN1; SMN2 (0.41) FPR1FPR2EPHX2MEN1ALDH1A1
SCHEMBL21187141 0.82 FPR1 (0.52) FPR1FPR2NPC1RAB9AEPHX2
SCHEMBL21397282 0.81 MAPT (0.58) FPR1FPR2NPC1RAB9AEPHX2
SCHEMBL21187150 0.79 MCHR1 (0.42) NPC1RAB9AEPHX1EPHX2ALDH1A1

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