SCHEMBL8499574

SCHEMBL8499574

C1=C(C(Cc2ccccc2)CN2CCc3ccccc3C2)OCO1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 11/20 0.48
WDR77 Q9BQA1 11/20 0.48
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.42
CARM1 Q86X55 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3784355 0.79 SIGMAR1 (0.44) LMNA
SCHEMBL4212347 0.79 POLB (0.50) PRMT5WDR77POLB
SCHEMBL1299631 0.76 SIGMAR1 (0.52) POLB
SCHEMBL5774496 0.76 TSHR (0.41) POLBLMNAHTT
Hydrochloric Acid SCHEMBL1299136 0.75 SIGMAR1 (0.51) POLBLMNA
SCHEMBL5656404 0.74 NPC1 (0.43) POLB
SCHEMBL4391732 0.74 ALDH1A1 (0.51) POLBHTT
SCHEMBL5750199 0.74 GRIN2D (0.40) OPRM1LMNAHTT
SCHEMBL5750674 0.73 LTA4H (0.41) OPRM1
SCHEMBL938718 0.72 EPHX1 (0.37)

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-1999024022-A2 ISOQUINOLINE DERIVATIVES FOR TREATING DISORDERS ASSOCIATED WITH 5HT7 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-20 WO disclosed