SCHEMBL6904976

SCHEMBL6904976

CCCCN(CCCC)[Zr](Cc1ccccc1)(Cc1ccccc1)N(CCCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6913267 0.88 SIGMAR1 (0.42) KCNH2OPRM1DRD3DRD2OPRD1
SCHEMBL6910031 0.85 KCNH2 (0.42) KCNH2OPRM1DRD3TDP1DRD2
SCHEMBL6914843 0.85 KCNH2 (0.42) KCNH2OPRM1DRD3TDP1DRD2
SCHEMBL6913522 0.79 TP53 (0.44) KCNH2OPRM1DRD3DRD2CHRM2
SCHEMBL6915490 0.72 SIGMAR1 (0.42) KCNH2OPRM1DRD3DRD2OPRD1
SCHEMBL5614697 0.70 TSHR (0.48) KCNH2OPRK1SLC6A2SLC6A4ADRA1A
SCHEMBL172516 0.69 MAPT (0.60) KCNH2OPRM1DRD3DRD2OPRD1
SCHEMBL329300 0.69 MAPT (0.66) KCNH2OPRM1DRD3DRD2OPRD1
SCHEMBL6913324 0.69 KCNH2 (0.42) KCNH2OPRM1DRD3TDP1DRD2
SCHEMBL9768710 0.68 MAPT (0.63) KCNH2OPRM1DRD3DRD2OPRD1

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
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 EP disclosed