SCHEMBL7845762

SCHEMBL7845762

CC(c1c[nH]c2ccc(Nc3ncc(C#N)cc3[N+](=O)[O-])cc12)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40
▸ JAK2 O60674 4/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ LRRK2 Q5S007 6/20 0.37
▸ EGFR P00533 1/20 0.32

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
SCHEMBL7845759 0.77 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7848732 0.74 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7187168 0.73 EGFR (0.49) JAK2JAK3LRRK2EGFRTDP1
SCHEMBL2543201 0.71 LRRK2 (0.43) JAK2JAK3LRRK2POLBMAPT
SCHEMBL2543205 0.70 CDK1 (0.46) JAK2JAK3LRRK2POLBMAPT
SCHEMBL29310772 0.66 POLB (0.46) JAK2JAK3LRRK2POLBMAPT
SCHEMBL8119252 0.65 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8926472 0.65 LRRK2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30989701 0.63 VCAM1 (0.47) JAK2JAK3POLBMAPT
SCHEMBL25887391 0.63 VCAM1 (0.47) JAK2JAK3POLBMAPT

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
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 — — EP disclosed
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