SCHEMBL8006848

SCHEMBL8006848

NC(=O)CCC1CN(c2ccc(C3=CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.49
CALML3 P27482 6/20 0.46

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
SCHEMBL28382346 0.86 MAOA (0.50) MAOACALML3
SCHEMBL28382345 0.86 MAOA (0.50) MAOACALML3
SCHEMBL7153924 0.86 GRM2 (0.42)
SCHEMBL8013254 0.86 GRM2 (0.42)
SCHEMBL8024116 0.85 MAOA (0.51) MAOACALML3
SCHEMBL5678811 0.83 MAOA (0.71) MAOACALML3
Hydrochloric Acid SCHEMBL5678891 0.83 MAOA (0.71) MAOACALML3
SCHEMBL5678812 0.83 MAOA (0.71) MAOACALML3
Hydrochloric Acid SCHEMBL5678897 0.83 MAOA (0.71) MAOACALML3
SCHEMBL7710710 0.79 MAOA (0.48) MAOACALML3

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
US-6043266-A MICROBIOCIDES TREATING GRAM-POSITIVE BACTERIA INFECTIONS AND PERSONS WITH AIDS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed