SCHEMBL9852733

SCHEMBL9852733

CC(C)(C)OC(=O)[C@H](N)[C@@H]1[C@@H]2CNC[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL9184273 1.00 SSTR4 (0.30) SSTR4NOS1NOS3NOS2
SCHEMBL9734482 1.00 SSTR4 (0.30) SSTR4NOS1NOS3NOS2
SCHEMBL2001522 0.82 NOS1 (0.34) NOS1NOS3NOS2
SCHEMBL4641765 0.82 NOS1 (0.31) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL29940301 0.81 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL4312543 0.77 SLC6A1 (0.33) NOS1NOS3NOS2
SCHEMBL7390438 0.77 SLC6A1 (0.33) NOS1NOS3NOS2
SCHEMBL7383261 0.77 SLC6A1 (0.33) NOS1NOS3NOS2
SCHEMBL3255849 0.77 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL1919959 0.74 CPN1 (0.41) NOS2

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
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed