SCHEMBL5569765

SCHEMBL5569765

[Li]c1cccc2c1C(P(CC)CC)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6544747 0.81 GPR3 (0.34) GPR3HTR2A
SCHEMBL5573163 0.80 GPR3 (0.41) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL6545167 0.77 MEN1 (0.33) GPR3
SCHEMBL8587289 0.75 HTR2A (0.42) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL9602938 0.68 GPR3 (0.34) GPR3HTR2A
SCHEMBL8661771 0.65 HTR2A (0.39) HTR2A
SCHEMBL2547987 0.62 ACHE (0.39) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL2546805 0.62 ACHE (0.47) ACHEBCHEHTR2ACHRM2HTR1A
SCHEMBL6544498 0.62 GPR3 (0.46) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL29162236 0.61 MAOA (0.47) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP disclosed
US-7169865-B2 Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-7169866-B2 Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
EP-1549683-A1 METHOD FOR PRODUCING HOMOPOLYMERS, COPOLYMERS AND/OR BLOCK COPOLYMERS COMPRISING METALLOCENES WITH A DONOR-ACCEPTOR INTERACTION, ACCORDING TO A LIVING POLYMERISATION PROCESS Lanxess Deutschland GmbH (DE) 2005-07-06 EP disclosed
EP-1546165-A1 TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN Lanxess Deutschland GmbH (DE) 2005-06-29 EP disclosed
WO-2004029100-A1 METHOD FOR PRODUCING HOMOPOLYMERS, COPOLYMERS AND/OR BLOCK COPOLYMERS COMPRISING METALLOCENES WITH A DONOR-ACCEPTOR INTERACTION, ACCORDING TO A LIVING POLYMERISATION PROCESS LANXESS DEUTSCHLAND GMBH (DE) 2004-04-08 WO disclosed
WO-2004029065-A1 TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN LANXESS DEUTSCHLAND GMBH (DE) 2004-04-08 WO disclosed
US-20040063877-A1 Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction LANXESS DEUTSCHLAND GMBH (DE) 2004-04-01 US disclosed
US-20040059073-A1 Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern LANXESS DEUTSCHLAND GMBH (DE) 2004-03-25 US disclosed
EP-1373284-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-6657027-B2 Compounds in which a transition metal is complexed with two ligand systems that systems are reversibly bonded together by a bridge ofa donor and an acceptor; at least one fluorinated aryl radical; olefin polymerization catalysts BAYER AKTIENGESELLSCHAFT (DE) 2003-12-02 US disclosed
US-20030036474-A1 Catalysts with a donor-acceptor interaction LANXESS DEUTSCHLAND GMBH (DE) 2003-02-20 US disclosed
WO-2002076999-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed