SCHEMBL8774263

SCHEMBL8774263

CCCCCCC1CCC(CCc2ccc(-c3cnc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8774204 1.00 MAPT (0.37) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774209 1.00 MAPT (0.37) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774260 1.00 MAPT (0.37) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774205 0.99 AKR1C2 (0.36) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774201 0.99 AKR1C2 (0.36) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774328 0.95 GPR84 (0.38) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774323 0.95 GPR84 (0.38) MAPTRAB9ASMN1; SMN2GAAHSD17B10
SCHEMBL8774303 0.90 GPR84 (0.36) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8774299 0.90 GPR84 (0.36) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8774904 0.88 GPR84 (0.36) MEN1KMT2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed