SCHEMBL8856026

SCHEMBL8856026

CC(C)=[Zr](Cl)(C1C=Cc2c(-c3cccc4ccccc34)cccc21)C1C=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EDNRB P24530 1/20 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
SCHEMBL7638200 0.82 MAPT (0.33) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL7636034 0.80 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDMAPK1
Hydrochloric Acid SCHEMBL7638205 0.78 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL5859267 0.74 KDM4E (0.36) SLC6A3KDM4EALDH1A1MAPTHPGD
SCHEMBL6064691 0.74 HTR6 (0.33) CYP2D6SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL7811624 0.73 ALDH1A1 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL17386685 0.72 MAPK1 (0.33) MTNR1AMTNR1BCYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7644118 0.72 MTNR1A (0.32) MTNR1AMTNR1BCYP2D6SLC6A2SLC6A4
SCHEMBL7646636 0.72 SLC6A4 (0.35) CYP2D6SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL5352323 0.71 MAPT (0.32) MTNR1AMTNR1BCYP2D6SLC6A2SLC6A4

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
US-5670681-A Process for preparing a carbon-bridged biscyclopentadiene compound HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed