SCHEMBL9239309

SCHEMBL9239309

O=C(N[C@H]1CC[C@H](C(=O)O)CC1)N1CCC(COC2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL9235050 0.95 POLB (0.38) POLBGABRPGABRDGABRA1TSHR
Bicarbonate SCHEMBL9239312 0.87 HTT (0.49) POLBTSHRMAPK1HTTLMNA
Bicarbonate SCHEMBL9233396 0.86 HTT (0.48) POLBTSHRMAPK1HTTLMNA
SCHEMBL9234908 0.85 POLB (0.42) POLBTSHRMAPK1HTTLMNA
SCHEMBL9236118 0.84 ITGB3 (0.45) POLBGABRPGABRDGABRA1TSHR
Bicarbonate SCHEMBL9235058 0.82 HTT (0.49) POLBTSHRMAPK1HTTLMNA
SCHEMBL9232196 0.77 POLB (0.35) POLBTSHRITGB3ITGA2BF2R
SCHEMBL9232195 0.77 POLB (0.35) POLBTSHRITGB3ITGA2BF2R
SCHEMBL9237755 0.77 SMN1; SMN2 (0.60) TSHRHTTTPSAB1TPSD1TPSG1
SCHEMBL9237279 0.75 DRD2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP claimed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed