SCHEMBL7832057

SCHEMBL7832057

O=C1CN=C(c2cccc(F)c2)c2ccccc2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.72
GABRA5 P31644 7/20 0.72
GABRA3 P34903 7/20 0.72
GABRA2 P47869 7/20 0.72
GABRB2 P47870 6/20 0.72
GABRG2 P18507 5/20 0.72
GABRB3 P28472 5/20 0.72
KMT2A Q03164 1/20 0.57
PDE4D Q08499 2/20 0.55
CNR1 P21554 1/20 0.55
NTSR1 P30989 1/20 0.55
OPRK1 P41145 1/20 0.55
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.51
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48

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
SCHEMBL2615408 0.85 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615411 0.85 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5350970 0.84 GABRA1 (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL1365706 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5356267 0.84 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-053061 SCHEMBL2615409 0.82 PDE4D (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-053061 SCHEMBL2615407 0.82 PDE4D (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19481193 0.82 KMT2A (0.56) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL28124939 0.82 GABRA1 (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2

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
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed