SCHEMBL7850969

SCHEMBL7850969

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.54
▸ GABRD O14764 1/20 0.54
▸ GABRA1 P14867 1/20 0.54
▸ GABRB1 P18505 1/20 0.54
▸ GABRG2 P18507 1/20 0.54
▸ GABRB3 P28472 1/20 0.54
▸ GABRA5 P31644 1/20 0.54
▸ GABRA3 P34903 1/20 0.54
▸ GABRA2 P47869 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ GABRA4 P48169 1/20 0.54
▸ GABRE P78334 1/20 0.54
▸ GABRA6 Q16445 1/20 0.54
▸ GABRG1 Q8N1C3 1/20 0.54
▸ GABRG3 Q99928 1/20 0.54
▸ GABRQ Q9UN88 1/20 0.54
▸ HTR6 P50406 1/20 0.45
▸ HTR1D P28221 10/20 0.43
▸ HTR1B P28222 10/20 0.43
▸ HTR1A P08908 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
SCHEMBL8120106 0.83 HTR1D (0.49) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL7844792 0.82 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7844789 0.82 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8113433 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8119252 0.81 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13607277 0.80 GPR119 (0.50) NPC1MAPTNFKB1MAPK1RAB9A
SCHEMBL12285736 0.79 APP (0.55) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL13607168 0.78 GPR119 (0.52) NPC1MAPTNFKB1MAPK1RAB9A
SCHEMBL12131788 0.77 APP (0.73) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL12285863 0.77 APP (0.73) HTR6HTR1DHTR1BHTR1AHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 — — EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 — — EP disclosed
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 — — EP disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 — — US disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 — — US disclosed
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