SCHEMBL1984445

SCHEMBL1984445

Brc1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 10/20 0.64
GABRD O14764 10/20 0.64
GABRA1 P14867 10/20 0.64
GABRB1 P18505 10/20 0.64
GABRG2 P18507 10/20 0.64
GABRB3 P28472 10/20 0.64
GABRA5 P31644 10/20 0.64
GABRA3 P34903 10/20 0.64
GABRA2 P47869 10/20 0.64
GABRB2 P47870 10/20 0.64
GABRA4 P48169 10/20 0.64
GABRE P78334 10/20 0.64
GABRA6 Q16445 10/20 0.64
GABRG1 Q8N1C3 10/20 0.64
GABRG3 Q99928 10/20 0.64
GABRQ Q9UN88 10/20 0.64
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.57
AHR P35869 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
SCHEMBL28526733 0.86 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23803036 0.85 AHR (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL406255 0.81 CHUK (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12938276 0.81 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6446989 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10644440 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3333771 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28643704 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10642293 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1982871 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4731358-A β-carbolines and their use as tranquilizers SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 US claimed
CN-114605313-B Bicarbazole material based on fluorene units and preparation method and application thereof 南京邮电大学 2023-07-21 CN disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
US-4731358-A β-carbolines and their use as tranquilizers SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed