SCHEMBL19100375

SCHEMBL19100375

CC(C)(C)N(C(=O)O)C1CN(Cc2ccccc2)CC1CO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.51
S1PR5 Q9H228 3/20 0.43
S1PR1 P21453 1/20 0.43
FUCA1 P04066 2/20 0.41
OPRM1 P35372 1/20 0.39
ACHE P22303 1/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2B Q13224 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL19063783 1.00 GBA1 (0.51) GBA1S1PR5S1PR1FUCA1OPRM1
SCHEMBL3617880 0.79 S1PR5 (0.47) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL2692741 0.79 S1PR5 (0.47) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL2692744 0.79 S1PR5 (0.47) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL2692748 0.79 S1PR5 (0.47) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL66496 0.78 BRD4 (0.43) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL5652849 0.78 BRD4 (0.43) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL3527474 0.77 GRIN2B (0.45) S1PR5S1PR1FUCA1OPRM1ACHE
SCHEMBL15012080 0.77 BCHE (0.48) FUCA1OPRM1ACHEBCHEKDM4E
SCHEMBL15012081 0.77 BCHE (0.48) FUCA1OPRM1ACHEBCHEKDM4E

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-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed