SCHEMBL7381272

SCHEMBL7381272

CCOC(=O)c1ncc2[nH]c3ccc(C)cc3c2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 15/20 0.57
▸ GABRG2 P18507 15/20 0.57
▸ GABRB3 P28472 15/20 0.57
▸ GABRA5 P31644 15/20 0.57
▸ GABRA3 P34903 15/20 0.57
▸ GABRA2 P47869 13/20 0.57
▸ GABRA6 Q16445 7/20 0.55
▸ GABRP O00591 6/20 0.55
▸ GABRD O14764 6/20 0.55
▸ GABRB1 P18505 6/20 0.55
▸ GABRB2 P47870 6/20 0.55
▸ GABRA4 P48169 6/20 0.55
▸ GABRE P78334 6/20 0.55
▸ GABRG1 Q8N1C3 6/20 0.55
▸ GABRG3 Q99928 6/20 0.55
▸ GABRQ Q9UN88 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL7381533 0.91 ALDH1A1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384138 0.90 HPGD (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7382595 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7385550 0.90 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7382936 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384757 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381402 0.89 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383581 0.89 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380859 0.87 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7377399 0.86 GABRA1 (0.52) 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
Send feedback