SCHEMBL7602791

SCHEMBL7602791

CC1=C(c2cccc3ccccc23)c2c3cccc2C1[Zr](C)(C)C1C(C)=C(c2cccc4ccccc24)c2c(cccc21)CC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.36
HTR1A P08908 4/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
BRD4 O60885 1/20 0.33
DHFR P00374 1/20 0.33
CYP2D6 P10635 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
FPR1 P21462 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL7599303 0.84 HTR7 (0.36) HTR7HTR1ACNR1CNR2CYP2D6
SCHEMBL796777 0.83 HTR7 (0.36) HTR7HTR1ACNR1CNR2DHFR
SCHEMBL7598615 0.81 DHFR (0.32) DHFR
SCHEMBL7601455 0.81 DHFR (0.32) DHFRSLC6A4SLC6A2SLC6A3MAPT
Hydrochloric Acid SCHEMBL5616484 0.80 HTR7 (0.36) HTR7HTR1ACNR1CNR2BRD4
Hydrochloric Acid SCHEMBL218908 0.80 HTR7 (0.36) HTR7HTR1ACNR1CNR2BRD4
Hydrochloric Acid SCHEMBL218124 0.80 HTR7 (0.36) HTR7HTR1ACNR1CNR2BRD4
SCHEMBL7602061 0.80 HTR7 (0.39) HTR7HTR1ACNR1CNR2BRD4
SCHEMBL7597026 0.78 DHFR (0.30) DHFR
SCHEMBL796673 0.73 HTR7 (0.36) HTR7HTR1ACNR1CNR2CYP2D6

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