SCHEMBL7939785

SCHEMBL7939785

CC(Br)Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.58
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PGR P06401 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL29032870 0.83 PNMT (0.57) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL1539790 0.81 PNMT (0.55) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL7455264 0.81 PNMT (0.68) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL7604159 0.80 PNMT (0.54) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL28836883 0.80 PNMT (0.62) PNMTDRD2DRD4DRD3NPC1
SCHEMBL17801652 0.79 PNMT (0.53) PNMTDRD2DRD4DRD3CYP1A2
Hydrochloric Acid SCHEMBL7607175 0.79 PNMT (0.53) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL28904088 0.78 PNMT (0.55) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL18229939 0.78 PNMT (0.51) PNMTDRD2DRD4DRD3CYP1A2
SCHEMBL30606684 0.78 PNMT (0.68) PNMTDRD2DRD4DRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
EP-0512554-B1 Method for making cyclopentadiene type compounds PHILLIPS PETROLEUM CO (US) 1997-09-17 EP disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
US-5541351-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1996-07-30 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed
US-5406013-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1995-04-11 US disclosed
US-5393911-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1995-02-28 US disclosed
US-5191132-A CYCLOPENTADIENE TYPE COMPOUNDS AND METHOD FOR MAKING PHILLIPS PETROLEUM COMPANY (US) 1993-03-02 US disclosed
EP-0512554-A2 Cyclopetadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1992-11-11 EP disclosed