SCHEMBL7374955

SCHEMBL7374955

Cc1c(C(N)=O)ncc2[nH]c3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 8/20 0.52
▸ GABRD O14764 8/20 0.52
▸ GABRA1 P14867 8/20 0.52
▸ GABRB1 P18505 8/20 0.52
▸ GABRG2 P18507 8/20 0.52
▸ GABRB3 P28472 8/20 0.52
▸ GABRA5 P31644 8/20 0.52
▸ GABRA3 P34903 8/20 0.52
▸ GABRA2 P47869 8/20 0.52
▸ GABRB2 P47870 8/20 0.52
▸ GABRA4 P48169 8/20 0.52
▸ GABRE P78334 8/20 0.52
▸ GABRA6 Q16445 8/20 0.52
▸ GABRG1 Q8N1C3 8/20 0.52
▸ GABRG3 Q99928 8/20 0.52
▸ GABRQ Q9UN88 8/20 0.52
▸ TOP2A P11388 1/20 0.50
▸ DYRK1A Q13627 1/20 0.46
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL7382255 0.83 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7379700 0.83 GABRA1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7384251 0.83 MAPT (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7384061 0.82 GABRA1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7379475 0.81 GABRA1 (0.73) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7378655 0.81 GABRA1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7380341 0.81 MAP2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7380409 0.80 GABRA1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25609275 0.79 TOP2A (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7382514 0.78 GABRA1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 — — US disclosed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 — — EP 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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