SCHEMBL8917164

SCHEMBL8917164

CN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
CDK4 P11802 1/20 0.46
GABRA1 P14867 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL4758953 0.85 CDK4 (0.58) CDK4GABRA1GABRG2GABRB3GABRA3
SCHEMBL7476741 0.81 NR4A2 (0.61) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL5434549 0.76 NR4A2 (0.69) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL3130492 0.76 NR4A2 (0.55) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL1557691 0.75 NR4A2 (0.63) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL31127577 0.75 NR4A2 (0.63) NR4A2GABRA1GABRA3GABRB2GABRB1
SCHEMBL13896416 0.74 NPC1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3130989 0.74 NR4A2 (0.52) NR4A2GABRA1GABRB2
SCHEMBL10104626 0.74 NR4A2 (0.52) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL2085712 0.73 NR4A2 (0.69) NR4A2GABRA1GABRA3GABRB2GABRB1

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
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed