SCHEMBL8675972

SCHEMBL8675972

CC[Zr](Cl)(Cl)(C1C=Cc2c(-c3ccccn3)ccc(C)c21)C1C=Cc2c(-c3ccccn3)ccc(C)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
FLT3 P36888 1/20 0.30
GSK3B P49841 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 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
SCHEMBL7563705 0.83 MAOA (0.33) MAOAKDM4ENPC1FLT3GSK3B
SCHEMBL7571442 0.81 MAOA (0.31) MAOA
SCHEMBL7571161 0.80 MAOA (0.31) MAOA
SCHEMBL8676204 0.79 GABRG2 (0.33) MAOAKDM4ENPC1GABRG2GABRB3
Hydrochloric Acid SCHEMBL7571445 0.78 MAOA (0.32) MAOAKDM4ENPC1
Hydrochloric Acid SCHEMBL7564378 0.72 MAOA (0.37) MAOAKDM4ENPC1GABRG2GABRB3
SCHEMBL7564070 0.69 GABRG2 (0.32) MAOAGABRG2GABRB3GABRA5GABRA1
SCHEMBL8675389 0.68 ADRA1A (0.33) KDM4ENPC1LMNACYP1A2POLB
Hydrochloric Acid SCHEMBL7564075 0.68 GABRG2 (0.32) MAOAKDM4ENPC1GABRG2GABRB3
SCHEMBL5952691 0.67 MAOA (0.33) MAOAKDM4ENPC1LMNACYP1A2

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-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed