SCHEMBL8885602

SCHEMBL8885602

COc1ccccc1-c1cn2c(=O)[nH]c3c(c2n1)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 7/20 0.51
GABRA2 P47869 6/20 0.50
GABRA1 P14867 5/20 0.50
GABRA5 P31644 3/20 0.50

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
SCHEMBL8096736 0.83 GABRA3 (0.67) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103227 0.83 GABRA3 (0.52) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001266 0.80 GABRA1 (0.75) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094714 0.80 GABRA2 (0.64) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8097270 0.80 GABRA1 (0.63) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103380 0.79 GABRA3 (0.56) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096416 0.78 GABRA1 (0.67) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8088084 0.76 GABRA2 (0.64) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103068 0.76 GABRA2 (0.64) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094738 0.75 GABRA2 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185446-A Treating anxiety, sleep, seizure disorders NEUROGEN CORPORATION (US) 1993-02-09 US claimed
US-5696260-A AGONSIT, ANTAGONIST, PRODRUG; USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP, SEIZURE DISORDER, OVERDOSE WITH BENZODIAZEPINE TYPE DRUGS AND ENHANCEMENT OF ALERTNESS NEUROGEN CORPORATION (US) 1997-12-09 US disclosed
US-5426186-A Diagnosis, treatment of anxiety, sleep and seizure disorders, benzodiazepine overdose; enhancement of alertness NEUROGEN CORPORATION (US) 1995-06-20 US disclosed
US-5185446-A Treating anxiety, sleep, seizure disorders NEUROGEN CORPORATION (US) 1993-02-09 US disclosed