SCHEMBL21898008

SCHEMBL21898008

CSNC(=O)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46
▸ GNAI3 P08754 1/20 0.45

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
SCHEMBL20230878 0.84 — —
SCHEMBL18885332 0.78 HDAC8 (0.54) TSHRALDH1A1SMN1; SMN2EPHX1MEN1
SCHEMBL5326 0.76 POLB (0.54) POLBGABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL4788809 0.74 POLB (0.52) POLBGABRPGABRDGABRA1TSHR
SCHEMBL4693634 0.73 HDAC8 (0.58) POLBGABRPGABRDGABRA1TSHR
SCHEMBL5808330 0.73 POLB (0.61) POLBGABRPGABRDGABRA1TSHR
SCHEMBL2727964 0.72 POLB (0.50) POLBGABRPGABRDGABRA1TSHR
SCHEMBL1018964 0.72 GNAI3 (0.64) POLBGABRPGABRDGABRA1TSHR
SCHEMBL3224577 0.72 POLB (0.50) POLBGABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL31229116 0.71 HDAC8 (0.56) POLBGABRPGABRDGABRA1TSHR

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
EP-3478680-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN LA ROCHE (CH) 2020-04-22 — — EP disclosed
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