SCHEMBL7385024

SCHEMBL7385024

CCCCCc1c(C(=O)OCC)ncc2[nH]c3ccccc3c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 17/20 0.74
▸ GABRG2 P18507 17/20 0.74
▸ GABRB3 P28472 17/20 0.74
▸ GABRA5 P31644 17/20 0.74
▸ GABRA3 P34903 17/20 0.74
▸ GABRA2 P47869 15/20 0.74
▸ GABRA6 Q16445 10/20 0.74
▸ GABRP O00591 9/20 0.74
▸ GABRD O14764 9/20 0.74
▸ GABRB1 P18505 9/20 0.74
▸ GABRB2 P47870 9/20 0.74
▸ GABRA4 P48169 9/20 0.74
▸ GABRE P78334 9/20 0.74
▸ GABRG1 Q8N1C3 9/20 0.74
▸ GABRG3 Q99928 9/20 0.74
▸ GABRQ Q9UN88 9/20 0.74
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.54

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
SCHEMBL7380272 0.97 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374994 0.93 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381233 0.91 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7377671 0.90 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383298 0.89 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7386116 0.88 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10708822 0.88 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380291 0.88 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7382610 0.85 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10379207 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3

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-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 — — US disclosed
US-4371536-A TRANQUILIZERS A/S FERROSAN (DK) 1983-02-01 — — US disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 — — EP disclosed
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