SCHEMBL9839788

SCHEMBL9839788

NCC12CC1CN(Cc1ccccc1)C2.[AlH3].[LiH]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 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
SCHEMBL3988127 0.97 SIGMAR1 (0.43) FUCA1SIGMAR1DRD2DRD3GAA
Lithium Ion SCHEMBL9839786 0.93 FUCA1 (0.40) FUCA1SIGMAR1DRD2DRD3GAA
SCHEMBL7510207 0.82 SLC6A3 (0.44) SIGMAR1DRD2ACHE
SCHEMBL4482745 0.82 FUCA1 (0.46) FUCA1SIGMAR1GAAALDH1A1
SCHEMBL31325224 0.82 FUCA1 (0.46) FUCA1SIGMAR1GAAALDH1A1
SCHEMBL8925563 0.79 FUCA1 (0.41) FUCA1SIGMAR1DRD2DRD3GAA
SCHEMBL11198892 0.76 NR5A2 (0.46) FUCA1GAAACHE
SCHEMBL9183047 0.76 OPRL1 (0.41) FUCA1SIGMAR1GAAACHE
SCHEMBL4237488 0.75 GAA (0.54) FUCA1SIGMAR1GAAACHE
SCHEMBL1190231 0.75 SIGMAR1 (0.46) FUCA1SIGMAR1GAAARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed