SCHEMBL8919911

SCHEMBL8919911

O=C(O)C1C2CN(Cc3ccccc3)CC21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.61
S1PR1 P21453 1/20 0.61
LTA4H P09960 1/20 0.60
FUCA1 P04066 2/20 0.56
GRIN2B Q13224 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL19971625 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9128323 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL19971626 1.00 S1PR5 (0.61) S1PR5S1PR1LTA4HFUCA1GRIN2B
Hydrochloric Acid SCHEMBL8917504 0.98 S1PR5 (0.59) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9126852 0.86 S1PR5 (0.54) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL9126843 0.86 S1PR5 (0.54) S1PR5S1PR1LTA4HFUCA1GRIN2B
SCHEMBL16759827 0.82 FUCA1 (0.64) S1PR5S1PR1FUCA1SIGMAR1GBA1
SCHEMBL16775256 0.82 FUCA1 (0.64) S1PR5S1PR1FUCA1SIGMAR1GBA1
SCHEMBL29215851 0.82 POLB (0.58) S1PR5S1PR1FUCA1
SCHEMBL19971613 0.82 S1PR5 (0.50) S1PR5S1PR1LTA4HFUCA1

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
US-5623078-A Process for producing an intermediate of a new quinolone compound CHISSO CORPORATION (JP) 1997-04-22 US disclosed
US-5475116-A Aza bicyclo[3,1,0]hexane intermediates useful in the synthesis of quinolones PFIZER INC. (US) 1995-12-12 US disclosed