SCHEMBL8119252

SCHEMBL8119252

O=[N+]([O-])c1cccnc1Nc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.58
▸ GABRD O14764 1/20 0.58
▸ GABRA1 P14867 1/20 0.58
▸ GABRB1 P18505 1/20 0.58
▸ GABRG2 P18507 1/20 0.58
▸ GABRB3 P28472 1/20 0.58
▸ GABRA5 P31644 1/20 0.58
▸ GABRA3 P34903 1/20 0.58
▸ GABRA2 P47869 1/20 0.58
▸ GABRB2 P47870 1/20 0.58
▸ GABRA4 P48169 1/20 0.58
▸ GABRE P78334 1/20 0.58
▸ GABRA6 Q16445 1/20 0.58
▸ GABRG1 Q8N1C3 1/20 0.58
▸ GABRG3 Q99928 1/20 0.58
▸ GABRQ Q9UN88 1/20 0.58
▸ APP P05067 6/20 0.56
▸ MAPT P10636 2/20 0.44
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44

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
SCHEMBL7844789 0.84 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7844792 0.84 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7850969 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7841516 0.77 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7841519 0.77 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8119645 0.77 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Dimethylamine SCHEMBL7851851 0.76 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29390889 0.73 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7851221 0.73 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6697922 0.73 GABRP (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 — — EP claimed
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-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 — — US disclosed
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