SCHEMBL8959424

SCHEMBL8959424

N#CC(CCCNCCc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.60
KCNH2 Q12809 2/20 0.57
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL1344083 0.84 KCNH2 (0.46) SIGMAR1KCNH2OPRM1DRD3
SCHEMBL1343597 0.80 ACP3 (0.44) SIGMAR1KCNH2
SCHEMBL12500369 0.77 SIGMAR1 (0.66) SIGMAR1KCNH2DRD2DRD4OPRM1
SCHEMBL17996055 0.77 ACP3 (0.42) SIGMAR1KCNH2
SCHEMBL12500566 0.76 SIGMAR1 (0.67) SIGMAR1KCNH2DRD2DRD4OPRM1
SCHEMBL10453660 0.74 SIGMAR1 (0.91) SIGMAR1KCNH2DRD3
SCHEMBL9768701 0.74 SIGMAR1 (0.86) SIGMAR1KCNH2
SCHEMBL9364530 0.74 CCR1 (0.48) SIGMAR1
SCHEMBL11932501 0.74 SIGMAR1 (0.66) SIGMAR1KCNH2
SCHEMBL10451727 0.73 CCR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496818-A OIL-IN-WATER TYPE; DISPERSED LIPID PHASE OF VEGETABLE OIL, PHOSPHOLIPID EMULSIFIER AND STRONGLY BASIC HYDROPHOBIC PHARMACEUTICAL; AQUEOUS PHASE WITH BUFFER AND SMALL AMOUNT OF IONIZED PHARMACEUTICAL; POSITIVE CHARGE AT EMULSION INTERFACE KNOLL AKTIENGESELLSCHAFT (DE) 1996-03-05 US claimed
EP-0456106-B1 Stable emulsion for pharmaceutical administration, process for its preparation and use thereof as pharmaceutical KNOLL AG (DE) 1994-12-07 EP claimed
EP-0456106-A2 Stable emulsion for pharmaceutical administration, process for its preparation and use thereof as pharmaceutical KNOLL AG (DE) 1991-11-13 EP claimed
US-5496818-A OIL-IN-WATER TYPE; DISPERSED LIPID PHASE OF VEGETABLE OIL, PHOSPHOLIPID EMULSIFIER AND STRONGLY BASIC HYDROPHOBIC PHARMACEUTICAL; AQUEOUS PHASE WITH BUFFER AND SMALL AMOUNT OF IONIZED PHARMACEUTICAL; POSITIVE CHARGE AT EMULSION INTERFACE KNOLL AKTIENGESELLSCHAFT (DE) 1996-03-05 US disclosed
EP-0456106-B1 Stable emulsion for pharmaceutical administration, process for its preparation and use thereof as pharmaceutical KNOLL AG (DE) 1994-12-07 EP disclosed
EP-0456106-A2 Stable emulsion for pharmaceutical administration, process for its preparation and use thereof as pharmaceutical KNOLL AG (DE) 1991-11-13 EP disclosed