SCHEMBL9056558

SCHEMBL9056558

O=C(O)CCc1ccc(-n2cnc(-c3ccc4c(c3)CCNCC4)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
FFAR4 Q5NUL3 6/20 0.38
MAP4K4 O95819 1/20 0.38
DVL1 O14640 1/20 0.37
TBXAS1 P24557 2/20 0.37
FFAR1 O14842 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
MLNR O43193 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL9053391 0.88 DVL1 (0.44) RXRARXRBRXRGFFAR4MAP4K4
SCHEMBL8560143 0.76 RXRA (0.40) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL9056734 0.76 RXRA (0.44) RXRARXRBRXRGFFAR4FFAR1
Hydrochloric Acid SCHEMBL20509927 0.74 RXRA (0.50) RXRARXRBRXRGFFAR1MLNR
SCHEMBL9255613 0.74 ITGB3 (0.58) RXRARXRBRXRGMAP4K4TBXAS1
Hydrochloric Acid SCHEMBL8564229 0.73 MAPK9 (0.38) RXRARXRBRXRGFFAR4DVL1
SCHEMBL8563938 0.73 RXRA (0.43) RXRARXRBRXRGFFAR1MLNR
SCHEMBL8562408 0.73 S1PR1 (0.44) RXRARXRBRXRGFFAR1MLNR
Hydrochloric Acid SCHEMBL8560694 0.72 RXRA (0.39) RXRARXRBRXRGTBXAS1FFAR1
Hydrochloric Acid SCHEMBL8567619 0.71 FFAR4 (0.36) RXRARXRBRXRGFFAR4DVL1

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-1996004271-A1 CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-02-15 WO disclosed