SCHEMBL11826652

SCHEMBL11826652

Cc1cn2c(n1)CN=C(c1ccccc1)c1cc(C#N)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.59
GABRA5 P31644 12/20 0.59
GABRA2 P47869 12/20 0.59
GABRA3 P34903 10/20 0.59
GABRG2 P18507 9/20 0.59
GABRB3 P28472 9/20 0.59
GABRB2 P47870 7/20 0.51
OPRK1 P41145 4/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.43
GABRA6 Q16445 3/20 0.42
GABRA4 P48169 2/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL11827953 0.86 GABRA1 (0.53) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11827336 0.86 GABRA1 (0.54) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11823283 0.83 OPRK1 (0.46) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11843774 0.83 GABRA5 (0.63) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11732360 0.83 OPRK1 (0.64) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11828627 0.81 CHRM1 (0.48) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11829706 0.80 GABRA5 (0.38) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11829808 0.80 CHRM1 (0.47) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11830963 0.80 GABRA1 (0.59) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11830483 0.80 GABRA1 (0.58) GABRA1GABRA5GABRA2GABRA3GABRG2

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
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed