SCHEMBL7416332

SCHEMBL7416332

COC(CNc1ccc2c(c1)CC(C)N2C(C)=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.48
NOTUM Q6P988 1/20 0.48
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL6805438 0.73 ALDH1A1 (0.53) PKLRNOTUMTHRBLMNAALDH1A1
SCHEMBL2205547 0.73 LMNA (0.68) PKLRNOTUMTHRBLMNAALDH1A1
SCHEMBL2209599 0.73 LMNA (0.68) PKLRNOTUMTHRBLMNAALDH1A1
SCHEMBL12428954 0.73 LMNA (0.68) PKLRNOTUMTHRBLMNAALDH1A1
SCHEMBL8567503 0.71 NOTUM (0.59) PKLRNOTUMALDH1A1POLBSMN1; SMN2
SCHEMBL32673424 0.70 NOTUM (0.62) PKLRNOTUMTHRBLMNAALDH1A1
SCHEMBL7416927 0.70 NOTUM (0.62) PKLRNOTUMTHRBLMNASMN1; SMN2
SCHEMBL8810927 0.70 KDM4E (0.54) LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL8570195 0.69 NOTUM (0.56) PKLRNOTUMALDH1A1POLBSMN1; SMN2
SCHEMBL6269801 0.69 NOTUM (0.56) PKLRNOTUMALDH1A1POLBSMN1; SMN2

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-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed