SCHEMBL7380449

SCHEMBL7380449

CCOC(=O)n1c2ccccc2c2cc(C(=O)O)ncc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.55
▸ GABRG2 P18507 7/20 0.44
▸ GABRB3 P28472 7/20 0.44
▸ GABRA5 P31644 7/20 0.44
▸ GABRA1 P14867 6/20 0.44
▸ GABRA2 P47869 6/20 0.44
▸ GABRA6 Q16445 6/20 0.44
▸ GABRP O00591 5/20 0.44
▸ GABRD O14764 5/20 0.44
▸ GABRB1 P18505 5/20 0.44
▸ GABRA3 P34903 5/20 0.44
▸ GABRB2 P47870 5/20 0.44
▸ GABRA4 P48169 5/20 0.44
▸ GABRE P78334 5/20 0.44
▸ GABRG1 Q8N1C3 5/20 0.44
▸ GABRG3 Q99928 5/20 0.44
▸ GABRQ Q9UN88 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL27962863 0.84 GABRG2 (0.61) CNR2GABRG2GABRB3GABRA5GABRA1
SCHEMBL31623719 0.83 GABRG2 (0.49) CNR2GABRG2GABRB3GABRA5GABRA1
SCHEMBL29469528 0.81 NTRK1 (0.58) MAPTKDM4ELMNAALDH1A1NTRK1
SCHEMBL1002968 0.81 NTRK1 (0.58) MAPTKDM4ELMNAALDH1A1NTRK1
SCHEMBL2212614 0.79 CNR2 (0.56) CNR2MAPTKDM4ELMNAALDH1A1
SCHEMBL2216224 0.77 KDM4E (0.59) CNR2GABRG2GABRB3GABRA5GABRA1
SCHEMBL13415776 0.77 ALDH1A1 (0.64) CNR2GABRG2GABRB3GABRA5GABRA1
SCHEMBL27939713 0.77 KMT2A (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2214750 0.76 CNR2 (0.71) CNR2GABRG2GABRB3GABRA5GABRA1
SCHEMBL27987637 0.76 CNR2 (0.53) CNR2GABRG2GABRB3GABRA5GABRA1

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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