SCHEMBL5777701

SCHEMBL5777701

Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccccc2F)c2ccc(Cl)cc23)cc1.O=C(c1ccccc1F)N1CC2(CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NPY2R P49146 1/20 0.36
TP53 P04637 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
SCHEMBL5578851 0.96 NOTUM (0.48) NOTUMMAPTLMNATSHRHTT
SCHEMBL5578681 0.92 NOTUM (0.50) NOTUMMAPTLMNATSHRHTT
SCHEMBL5578689 0.91 NOTUM (0.49) NOTUMMAPTLMNATSHRHTT
SCHEMBL5578704 0.89 NOTUM (0.49) NOTUMMAPTTSHRHTTL3MBTL1
SCHEMBL5578835 0.87 NOTUM (0.49) NOTUMMAPTLMNATSHRHTT
SCHEMBL5579107 0.86 NOTUM (0.48) NOTUMLMNATSHRHTTL3MBTL1
SCHEMBL5578888 0.86 NOTUM (0.44) NOTUMTSHRHTTL3MBTL1SMN1; SMN2
SCHEMBL5578894 0.85 NOTUM (0.46) NOTUMMAPTLMNATSHRHTT
SCHEMBL5579066 0.83 NOTUM (0.43) NOTUMHTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5578596 0.76 NOTUM (0.46) NOTUMTSHRHTTL3MBTL1SMN1; 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-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed