SCHEMBL7510207

SCHEMBL7510207

NCC12CC1CN(CCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 3/20 0.42
ACHE P22303 1/20 0.42
CCR3 P51677 1/20 0.41
GBA1 P04062 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
GRM2 Q14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3988127 0.85 SIGMAR1 (0.43) SIGMAR1ACHEDRD2
SCHEMBL9839788 0.82 FUCA1 (0.41) SIGMAR1ACHEDRD2
Lithium Ion SCHEMBL9839786 0.81 FUCA1 (0.40) SIGMAR1ACHEDRD2
SCHEMBL11461429 0.75 SLC6A3 (0.45) SLC6A3SIGMAR1ACHEDRD2
SCHEMBL6007699 0.73 SMN1; SMN2 (0.46) SLC6A3SIGMAR1ACHECCR3DRD2
Hydrochloric Acid SCHEMBL11087688 0.73 SLC6A3 (0.44) SLC6A3SIGMAR1ACHEDRD2
SCHEMBL6007693 0.73 SMN1; SMN2 (0.46) SLC6A3SIGMAR1ACHECCR3DRD2
SCHEMBL22249168 0.73 ROCK2 (0.39)
SCHEMBL22248433 0.73 ROCK2 (0.42) SIGMAR1HTR1ADRD2
SCHEMBL6007978 0.72 GRM2 (0.47) SLC6A3SIGMAR1ACHEGBA1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed