SCHEMBL5784243

SCHEMBL5784243

C[C@H]1N(C(=O)c2ccccc2F)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.42
KCNH2 Q12809 1/20 0.42
SMYD3 Q9H7B4 2/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HSP90AA1 P07900 2/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34

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
SCHEMBL5780537 0.92 P2RX7 (0.40) GNRHRKCNH2SMYD3TSHRDPP4
SCHEMBL5782306 0.83 HTR2A (0.40) GNRHRKCNH2SMYD3HTTLMNA
SCHEMBL5600002 0.75 P2RX7 (0.37) GNRHRKCNH2HTR2AHTR2CDPP4
SCHEMBL5780422 0.75 P2RX7 (0.36) GNRHRKCNH2DPP4HCRTR1HCRTR2
SCHEMBL5598980 0.75 LMNA (0.38) GNRHRKCNH2SMYD3HTTLMNA
SCHEMBL5599096 0.75 GNRHR (0.41) GNRHRKCNH2SMYD3HSD11B1PDK1
SCHEMBL5783811 0.74 HTT (0.36) SMYD3HTTLMNATSHRKDM4E
SCHEMBL5599358 0.74 PARP1 (0.36) GNRHRKCNH2DPP4PDK1PDK2
SCHEMBL5783985 0.74 DPP4 (0.34) GNRHRKCNH2HTR2AHTR2CDPP4
SCHEMBL5782925 0.74 LMNA (0.39) HTTLMNAMAPTKDM4EHSD11B1

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