SCHEMBL5890108

SCHEMBL5890108

CCCC1=Cc2c(-c3ccccc3-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)(C1C(CCC)=Cc2c(-c3ccccc3-c3cccc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.31
HTR7 P34969 1/20 0.31
SLC6A4 P31645 2/20 0.30
DRD2 P14416 1/20 0.30
CNR1 P21554 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
SCHEMBL138392 0.99 ALOX15 (0.32) ALOX15HTR7SLC6A4DRD2CNR1
SCHEMBL5890481 0.93 CNR1 (0.33) ALOX15CNR1
SCHEMBL141781 0.92 CNR1 (0.34) ALOX15HTR7SLC6A4DRD2CNR1
SCHEMBL141430 0.91 CNR1 (0.38) ALOX15CNR1
SCHEMBL140832 0.90 CNR1 (0.39) ALOX15SLC6A4DRD2CNR1
SCHEMBL138908 0.90 ALOX15 (0.31) ALOX15HTR7
SCHEMBL25221304 0.89 ALDH1A1 (0.31)
SCHEMBL138153 0.87 ALOX15 (0.30) ALOX15
SCHEMBL139103 0.87 HTR1A (0.31) HTR7
SCHEMBL689432 0.86 CNR1 (0.32) ALOX15HTR7CNR1

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-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed