SCHEMBL7607532

SCHEMBL7607532

CCC1=C2CCC3=C(CC)C(c4ccc5ccccc5c43)[Zr](C)(C)C1c1ccc3ccccc3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM1A O60341 1/20 0.30
GAA P10253 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
SCHEMBL797517 0.83 SLC6A4 (0.32) SLC6A4DRD2GAA
SCHEMBL5351880 0.81 ALDH1A1 (0.35) SLC6A4KDM4EALDH1A1LMNAMAPK1
SCHEMBL7599708 0.80 KDM4E (0.31) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL7602562 0.80 HTR1A (0.34) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7598778 0.77 BRD4 (0.33) HTR1AHTR7DRD2
SCHEMBL7599705 0.76 KDM4E (0.32) KDM4EALDH1A1LMNAMAPK1
SCHEMBL7597816 0.76 KDM4E (0.32) KDM4EALDH1A1LMNAMAPK1
SCHEMBL7599303 0.75 HTR7 (0.36) SLC6A4HTR1AHTR7DRD2KDM4E
SCHEMBL7602945 0.73 ADRA2C (0.31) CYP1A2
SCHEMBL797107 0.73 SLC6A4 (0.32) SLC6A4HTR1AHTR7HTR2BTMEM97

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed