SCHEMBL5598980

SCHEMBL5598980

Cc1ccc([C@H]2N(C(=O)c3ccccc3F)c3ccc(Cl)cc3C23CCNCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GNRHR P30968 1/20 0.33

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
SCHEMBL5599340 0.90 L3MBTL1 (0.36) LMNATSHRHTTPOLBL3MBTL1
SCHEMBL5777915 0.87 ALDH1A1 (0.34) LMNAPOLBL3MBTL1ALDH1A1MGLL
SCHEMBL5784243 0.75 GNRHR (0.42) LMNAMAPTTSHRHTTSMYD3
SCHEMBL5599571 0.72 PTGDR2 (0.37) TSHRHTTL3MBTL1ALDH1A1CHRM2
SCHEMBL5780173 0.72 DRD2 (0.36) TSHRL3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL5599289 0.71 DRD2 (0.37) L3MBTL1ALDH1A1SMYD3HCRTR1HCRTR2
SCHEMBL5600563 0.71 TSHR (0.36) TSHRHTTL3MBTL1ALDH1A1CHRM2
SCHEMBL5599363 0.71 CHRM1 (0.38) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5599763 0.71 DRD2 (0.38) L3MBTL1ALDH1A1MGLLCHRM2CHRM4
SCHEMBL5780283 0.70 PTGDR2 (0.36) LMNAMAPTMEN1KMT2ACHRM2

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed