SCHEMBL6757995

SCHEMBL6757995

O=[N+]([O-])c1cc2c(cc1F)[nH]c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
AHR P35869 1/20 0.52
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL19135786 0.82 MAPT (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23191714 0.77 AHR (0.71) AHRALDH1A1KMT2AMEN1MAPT
SCHEMBL17669649 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6756498 0.76 SIRT2 (0.39) ALDH1A1KMT2AMEN1MAPTSIRT2
Carbazole SCHEMBL27971512 0.75 ALDH1A1 (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31378801 0.75 DAO (0.58) CTSVCTSLALDH1A1KMT2AMEN1
SCHEMBL30272742 0.73 CTSV (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30272743 0.73 CTSV (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL151534 0.73 CTSV (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30272741 0.73 CTSV (0.79) GABRPGABRDGABRA1GABRB1GABRG2

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-6713473-B1 6-CARBAMATE-1,2,3,4-TETRAHYDROCARBAZOLE DERIVATIVES; AFFINITY FOR NEUROPEPTIDE Y RECEPTORS MEIJI SEIKA KAISHA, LTD. (JP) 2004-03-30 US disclosed
EP-1184373-A1 TRICYCLIC COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 2002-03-06 EP disclosed