SCHEMBL30021783

SCHEMBL30021783

c1ccc(-c2ccccc2-c2ccc3c([nH]c4ccccc43)c2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
MAOA P21397 2/20 0.47
TDO2 P48775 3/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46

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
SCHEMBL31276033 1.00 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30103685 0.98 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29177840 0.98 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30302837 0.98 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31276021 0.97 MAOA (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30022292 0.97 MAOA (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30022552 0.95 PARP14 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3270151 0.95 MAOA (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30103587 0.95 MAOA (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29986522 0.94 GABRP (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 WO disclosed