SCHEMBL9259795

SCHEMBL9259795

N#Cc1nc2c(c3nc(-c4ccccc4F)cn13)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 12/20 0.41
GABRA2 P47869 10/20 0.41
GABRA1 P14867 9/20 0.40
GABRA5 P31644 6/20 0.40

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
SCHEMBL8097295 0.84 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103377 0.83 KDM4E (0.45) GABRA2GABRA1
SCHEMBL8886770 0.82 GABRA3 (0.43) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096803 0.82 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096753 0.80 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094530 0.80 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9444178 0.79 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8087741 0.77 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094708 0.77 GABRA3 (0.46) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8088041 0.76 GABRA3 (0.48) GABRA3GABRA2GABRA1GABRA5

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-5426186-A Diagnosis, treatment of anxiety, sleep and seizure disorders, benzodiazepine overdose; enhancement of alertness NEUROGEN CORPORATION (US) 1995-06-20 US claimed