SCHEMBL6415099

SCHEMBL6415099

CC(C)(C)Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.62
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RIPK1 Q13546 2/20 0.38
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PGR P06401 2/20 0.35
MAOA P21397 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL4155281 0.83 PNMT (0.62) PNMTDRD2DRD3DRD4NPC1
SCHEMBL27753726 0.82 PNMT (0.53) PNMTDRD2DRD3DRD4NPC1
SCHEMBL30606684 0.80 PNMT (0.68) PNMTDRD2DRD3DRD4NPC1
SCHEMBL633763 0.80 PNMT (0.68) PNMTDRD2DRD3DRD4NPC1
SCHEMBL7195192 0.80 PNMT (0.72) PNMTDRD2DRD3DRD4NPC1
SCHEMBL5366733 0.80 PNMT (0.72) PNMTDRD2DRD3DRD4NPC1
SCHEMBL28483707 0.79 PNMT (0.57) PNMTDRD2DRD3DRD4NPC1
SCHEMBL3679006 0.78 PNMT (0.49) PNMTDRD2DRD3DRD4NPC1
SCHEMBL7609046 0.78 PNMT (0.70) PNMTDRD2DRD3DRD4NPC1
SCHEMBL7603814 0.78 PNMT (0.70) PNMTDRD2DRD3DRD4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489082-B1 Intermediate compounds ZOETIS P & U LLC (US) 2013-11-20 EP disclosed
EP-0871631-B1 ANTIPARASITIC MARCFORTINES AND PARAHERQUAMIDES PHARMACIA & UPJOHN CO LLC (US) 2005-11-30 EP disclosed
EP-1489082-A1 Intermediate compounds PHARMACIA & UPJOHN COMPANY (US) 2004-12-22 EP disclosed
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
EP-1400523-A2 Intermediate compounds PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 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
US-5750695-A Antiparasitic paraherquamides PHARMACIA & UPJOHN COMPANY (US) 1998-05-12 US disclosed
US-5703078-A ANTIBIOTICS PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed