SCHEMBL6674622

SCHEMBL6674622

c1ccc2c(c1)Cc1c(CCCCCCc3cccc4c3Cc3ccccc3-4)cccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.66
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
MAOA P21397 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6676505 1.00 PNMT (0.66) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6675794 0.98 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6674911 0.94 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7605895 0.93 PNMT (0.66) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7604911 0.93 PNMT (0.66) PNMTDRD2DRD4DRD3NPC1
SCHEMBL25217852 0.92 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL407782 0.92 PNMT (0.57) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL5541791 0.92 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL1449245 0.92 PNMT (0.57) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL6672769 0.92 PNMT (0.57) PNMTDRD2DRD4DRD3ALDH1A1

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-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed