SCHEMBL8740998

SCHEMBL8740998

CO[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
DRD2 P14416 5/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 5/20 0.46
S1PR5 Q9H228 3/20 0.46
S1PR1 P21453 2/20 0.46
EHMT2 Q96KQ7 1/20 0.45
SCN4A P35499 2/20 0.44
FUCA1 P04066 2/20 0.44
MCHR1 Q99705 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8740999 1.00 POLB (0.46) POLBDRD2DRD4DRD3S1PR5
SCHEMBL8741125 1.00 POLB (0.46) POLBDRD2DRD4DRD3S1PR5
SCHEMBL8741110 1.00 POLB (0.46) POLBDRD2DRD4DRD3S1PR5
SCHEMBL8741002 1.00 POLB (0.46) POLBDRD2DRD4DRD3S1PR5
SCHEMBL3124812 0.88 MCHR1 (0.52) POLBDRD2DRD4DRD3SCN4A
SCHEMBL15121800 0.88 MCHR1 (0.52) POLBDRD2DRD4DRD3SCN4A
SCHEMBL3124821 0.88 MCHR1 (0.52) POLBDRD2DRD4DRD3SCN4A
SCHEMBL15121797 0.88 MCHR1 (0.52) POLBDRD2DRD4DRD3SCN4A
SCHEMBL7825129 0.85 KMT2A (0.52) DRD2DRD4DRD3S1PR5S1PR1
SCHEMBL8741001 0.85 KMT2A (0.52) DRD2DRD4DRD3S1PR5S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed