SCHEMBL7374173

SCHEMBL7374173

CCc1c(C(=O)NC)ncc2[nH]c3ccccc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 13/20 0.56
▸ GABRG2 P18507 13/20 0.56
▸ GABRB3 P28472 13/20 0.56
▸ GABRA5 P31644 13/20 0.56
▸ GABRA3 P34903 13/20 0.56
▸ GABRA2 P47869 12/20 0.56
▸ GABRA6 Q16445 6/20 0.56
▸ GABRB2 P47870 5/20 0.56
▸ GABRP O00591 4/20 0.56
▸ GABRD O14764 4/20 0.56
▸ GABRB1 P18505 4/20 0.56
▸ GABRA4 P48169 4/20 0.56
▸ GABRE P78334 4/20 0.56
▸ GABRG1 Q8N1C3 4/20 0.56
▸ GABRG3 Q99928 4/20 0.56
▸ GABRQ Q9UN88 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53

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
SCHEMBL7374452 0.90 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379367 0.89 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379711 0.88 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29507266 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384927 0.85 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384061 0.85 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384251 0.83 MAPT (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383298 0.81 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381705 0.81 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379781 0.80 KDM4E (0.53) 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 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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