SCHEMBL7671925

SCHEMBL7671925

COc1cccc(CNC(=O)C(C)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRE P78334 2/20 0.61
GABRA6 Q16445 2/20 0.61
GABRG1 Q8N1C3 2/20 0.61
GABRG3 Q99928 2/20 0.61
GABRQ Q9UN88 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
KMT2A Q03164 7/20 0.61
TACR1 P25103 1/20 0.58

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
SCHEMBL7671347 0.88 KMT2A (0.68) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL7669404 0.86 POLB (0.65) POLBCTDSP1KMT2ATACR1KDM4E
SCHEMBL7838780 0.85 POLB (0.73) POLBCTDSP1KMT2ATACR1KDM4E
SCHEMBL7677893 0.85 POLB (0.64) POLBCTDSP1KMT2ATACR1KDM4E
SCHEMBL7673231 0.85 POLB (0.64) POLBCTDSP1KMT2ATACR1KDM4E
SCHEMBL7677992 0.85 POLB (0.64) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL7674750 0.84 POLB (0.59) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL7850770 0.83 POLB (0.61) POLBCTDSP1KMT2ATACR1KDM4E
SCHEMBL7678202 0.83 POLB (0.66) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL7673280 0.82 POLB (0.62) POLBCTDSP1KMT2ATACR1KDM4E

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-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed