SCHEMBL6913522

SCHEMBL6913522

CCN(CC)[Zr](Cc1ccccc1)(Cc1ccccc1)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CNR2 P34972 1/20 0.42
TSHR P16473 2/20 0.42
AOC3 Q16853 3/20 0.41
KCNH2 Q12809 2/20 0.41
DRD1 P21728 2/20 0.41
DRD3 P35462 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MGLL Q99685 1/20 0.36

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 0.83 SIGMAR1 (0.42) TP53CNR2TSHRAOC3KCNH2
SCHEMBL6915634 0.82 TSHR (0.47) TP53CNR2TSHRAOC3KCNH2
SCHEMBL6905115 0.82 TP53 (0.44) TP53CNR2TSHRAOC3KCNH2
SCHEMBL6904976 0.79 KCNH2 (0.42) TP53KCNH2DRD1DRD3CHRM2
SCHEMBL5614697 0.76 TSHR (0.48) TP53TSHRAOC3KCNH2SLC6A2
SCHEMBL6915490 0.70 SIGMAR1 (0.42) TP53TSHRAOC3KCNH2DRD1
SCHEMBL6914843 0.67 KCNH2 (0.42) TP53KCNH2DRD1DRD3CHRM2
SCHEMBL6911396 0.67 TSHR (0.48) TP53TSHRAOC3KCNH2SLC6A2
SCHEMBL6904854 0.67 TSHR (0.48) TP53TSHRAOC3KCNH2SLC6A2
SCHEMBL272369 0.66 CALM1 (0.50) TP53TSHRALDH1A1TAAR1CALM1

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 3 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
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