SCHEMBL7380409

SCHEMBL7380409

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 15/20 0.55
▸ GABRG2 P18507 15/20 0.55
▸ GABRB3 P28472 15/20 0.55
▸ GABRA5 P31644 15/20 0.55
▸ GABRA3 P34903 15/20 0.55
▸ GABRA2 P47869 15/20 0.55
▸ GABRA6 Q16445 11/20 0.55
▸ GABRA4 P48169 10/20 0.55
▸ GABRP O00591 8/20 0.55
▸ GABRD O14764 8/20 0.55
▸ GABRB1 P18505 8/20 0.55
▸ GABRB2 P47870 8/20 0.55
▸ GABRE P78334 8/20 0.55
▸ GABRG1 Q8N1C3 8/20 0.55
▸ GABRG3 Q99928 8/20 0.55
▸ GABRQ Q9UN88 8/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL7380313 0.88 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379700 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7373948 0.84 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8176654 0.84 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374058 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379475 0.84 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380367 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6224370 0.82 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384251 0.81 MAPT (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7378655 0.81 GABRA1 (0.59) 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
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
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