SCHEMBL7465941

SCHEMBL7465941

CC1=Cc2c(CCc3cccc4c3C=C(C)C4)cccc2C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HTR2A P28223 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
SCHEMBL7628272 0.86 GABRA1 (0.40) PNMTTAAR1HTR2A
SCHEMBL12935970 0.84 PNMT (0.33) PNMT
SCHEMBL5953538 0.80 HTR2A (0.42) PNMTHTR2A
SCHEMBL3686997 0.78 HTR2A (0.43) PNMTHTR2A
SCHEMBL5954073 0.76 BCHE (0.36)
SCHEMBL4035804 0.76 CYP2A6 (0.36)
SCHEMBL30477217 0.76 CYP2A6 (0.36)
SCHEMBL5953854 0.73 SIGMAR1 (0.39) HTR2A
SCHEMBL7464131 0.73
SCHEMBL7093971 0.73 CYP11B1 (0.36) PNMTTAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369254-B1 COORDINATION CATALYST FOR POLYMERIZATION CATALYSTS BASELL TECHNOLOGY COMPANY BV (NL) 2002-04-09 US disclosed
EP-0846122-B1 BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-07-05 EP disclosed
EP-0846122-A1 BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company B.V. (NL) 1998-06-10 EP disclosed
WO-1996038458-A1 BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1996-12-05 WO disclosed