SCHEMBL5777915

SCHEMBL5777915

O=C(c1ccccc1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@@H]1c1ccc(F)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
P2RX7 Q99572 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRK1 P41145 1/20 0.32
GRM5 P41594 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32

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 0.88 L3MBTL1 (0.36) ALDH1A1L3MBTL1SMN1; SMN2TDP1KDM4E
SCHEMBL5598980 0.87 LMNA (0.38) ALDH1A1L3MBTL1POLBMGLLLMNA
SCHEMBL5784243 0.71 GNRHR (0.42) KDM4ELMNASMYD3HCRTR1HCRTR2
SCHEMBL5599571 0.70 PTGDR2 (0.37) ALDH1A1L3MBTL1P2RX7SMN1; SMN2TDP1
SCHEMBL5599289 0.70 DRD2 (0.37) ALDH1A1L3MBTL1P2RX7CHRM2CHRM4
SCHEMBL5600563 0.70 TSHR (0.36) ALDH1A1L3MBTL1P2RX7SMN1; SMN2TDP1
SCHEMBL5599763 0.69 DRD2 (0.38) ALDH1A1L3MBTL1P2RX7MGLLCHRM2
SCHEMBL5780173 0.68 DRD2 (0.36) ALDH1A1L3MBTL1P2RX7CHRM2CHRM4
SCHEMBL5782306 0.67 HTR2A (0.40) LMNASMYD3HCRTR1HCRTR2
SCHEMBL5599363 0.67 CHRM1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3

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