SCHEMBL7919016

SCHEMBL7919016

CCC1=Cc2ccccc2C1[V]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.33
DRD2 P14416 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
THPO P40225 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL27372929 0.78 CYP11B1 (0.33) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL5859366 0.78 CYP11B1 (0.33) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL6344924 0.78 DRD2 (0.38) KDM4EHTR2ADRD2TP53LMNA
Bromide SCHEMBL27948604 0.76 HTR2A (0.35) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL1452158 0.76 HTR2A (0.39) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL27739315 0.76 CYP11B1 (0.32) HTR2ATP53CYP11B1CYP11B2
SCHEMBL18242427 0.76 CYP11B1 (0.32) HTR2ATP53CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4660518 0.76 HTR2A (0.39) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL1453657 0.76 HTR2A (0.40) KDM4EHTR2ADRD2TP53LMNA
SCHEMBL5668048 0.76 CYP11B1 (0.32) KDM4EHTR2ATP53CYP11B1CYP11B2

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-6214948-B1 PLACING A SOLID PRECURSOR CONTAINING AT LEAST ONE NEUTRAL METALLOCENE DERIVED FROM TRANSITIONAL METAL AND AN IONIZING AGENT, IN CONTACT WITH ORGANOMETALLIC COMPOUND OF 1A, 2A, 2B, 3 AND 4 GROUP SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2001-04-10 US disclosed
US-5763349-A Solid precursor of a catalytic system for the polymerization of olefins, process for its preparation, catalytic system comprising this solid precursor and process for the polymerization of olefins in the presence of this catalytic system SOLVAY POLYOLEFINS EUROPE - BELGIUM (BE) 1998-06-09 US disclosed