SCHEMBL7607482

SCHEMBL7607482

CCC1=C(c2cccc3ccccc23)c2c3cccc2C(C)(C)c2cccc4c2C(c2cccc5ccccc25)=C(CC)C4[Zr](C)(C)C13

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL7601455 0.84 DHFR (0.32) HTR2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL7598604 0.82 HTR2A (0.32) HTR2AMAPTCYP2D6SLC6A2SLC6A4
SCHEMBL7599303 0.82 HTR7 (0.36) NPC1MAPTRAB9ASMN1; SMN2CYP2D6
SCHEMBL7597611 0.81
SCHEMBL7596999 0.79
SCHEMBL7607537 0.78
SCHEMBL797232 0.77 CNR1 (0.30)
SCHEMBL797800 0.76 TLR8 (0.32) MAPTSMN1; SMN2
SCHEMBL7602562 0.75 HTR1A (0.34) MAPT
SCHEMBL6895641 0.73

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 2 patents. 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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed