SCHEMBL7381826

SCHEMBL7381826

COC(=O)c1ncc2[nH]c3ccccc3c2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ GABRA1 P14867 3/20 0.53
▸ GABRG2 P18507 3/20 0.53
▸ GABRB3 P28472 3/20 0.53
▸ GABRA5 P31644 3/20 0.53
▸ GABRA3 P34903 3/20 0.53
▸ GABRA2 P47869 3/20 0.53
▸ GABRB2 P47870 3/20 0.53
▸ GABRA6 Q16445 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ GABRP O00591 2/20 0.53
▸ GABRD O14764 2/20 0.53
▸ GABRB1 P18505 2/20 0.53
▸ GABRA4 P48169 2/20 0.53
▸ GABRE P78334 2/20 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
SCHEMBL7382592 0.87 MEN1 (0.57) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7381402 0.87 GABRA1 (0.67) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7373948 0.87 GABRA1 (0.51) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7382844 0.86 MEN1 (0.47) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7373356 0.86 ALDH1A1 (0.50) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7378997 0.86 GABRA1 (0.56) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7378603 0.85 GABRA1 (0.45) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7379781 0.85 KDM4E (0.53) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7384134 0.85 GABRA1 (0.57) MAPTKDM4EALDH1A1LMNAGABRA1
SCHEMBL7381668 0.83 GABRA1 (0.52) MAPTKDM4EALDH1A1LMNAGABRA1

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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