SCHEMBL6915490

SCHEMBL6915490

CCCN(CCC)[Zr](Cc1ccccc1)(N(CCC)CCC)N(CCC)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
AOC3 Q16853 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL6910031 0.88 KCNH2 (0.42) SIGMAR1TP53OPRM1DRD3KCNH2
SCHEMBL6913267 0.83 SIGMAR1 (0.42) SIGMAR1TP53TAAR1OPRM1DRD3
SCHEMBL6905115 0.83 TP53 (0.44) TP53TAAR1OPRM1DRD3KCNH2
SCHEMBL6911396 0.73 TSHR (0.48) SIGMAR1TP53TAAR1KCNH2AOC3
SCHEMBL6914843 0.72 KCNH2 (0.42) SIGMAR1TP53OPRM1DRD3KCNH2
SCHEMBL6904976 0.72 KCNH2 (0.42) SIGMAR1TP53OPRM1DRD3KCNH2
SCHEMBL6913522 0.70 TP53 (0.44) TP53TAAR1OPRM1DRD3KCNH2
SCHEMBL6915634 0.70 TSHR (0.47) TP53TAAR1OPRM1DRD3KCNH2
SCHEMBL28254612 0.68 CARM1 (0.48) SIGMAR1TP53OPRM1DRD3AOC3
SCHEMBL8240347 0.67 HRH3 (0.61) OPRM1DRD3AOC3DRD2OPRD1

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