SCHEMBL7355131

SCHEMBL7355131

O=C1N([C@H]2CC[C@@H](C(=O)O)CC2)CCN1[C@H]1CC[C@H](C2CCNCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
PMP22 Q01453 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 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
SCHEMBL7359683 1.00 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7359383 1.00 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7393344 1.00 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7393342 1.00 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7355136 1.00 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL7388284 0.98 GABRP (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7362647 0.85 GABRP (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL7362650 0.85 GABRP (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL15240124 0.80 TSHR (0.73) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL17064242 0.77 POLB (0.37) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 WO claimed
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 WO disclosed