SCHEMBL8380997

SCHEMBL8380997

[Hf]=C(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
CYP2D6 P10635 3/20 0.33
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 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
SCHEMBL25218430 0.80 HTR2A (0.39) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL8732534 0.78 HTR2A (0.38) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL8380915 0.78 HTR2A (0.38) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL31068436 0.78 HTR6 (0.41) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL9309445 0.78 HTR2A (0.38) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL9056492 0.78 HTR2A (0.38) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL8383845 0.78 HTR2A (0.38) HTR2AHTR6CYP2D6SIGMAR1KDM4E
Lithium SCHEMBL7825806 0.77 HTR2A (0.36) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL7825802 0.77 HTR2A (0.36) HTR2AHTR6CYP2D6SIGMAR1KDM4E
SCHEMBL23100802 0.77 HTR2A (0.36) HTR2AHTR6CYP2D6SIGMAR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed